@article {2476,
	title = {The ground state rotational spectrum of the fluorosulfate radical},
	journal = {Journal of Chemical Physics},
	volume = {130},
	number = {18},
	year = {2009},
	note = {ISI Document Delivery No.: 448LDTimes Cited: 2Cited Reference Count: 26Kolesnikova, Lucie Varga, Juraj Striteska, Lucie Nova Beckers, Helmut Willner, Helge Aubke, Friedhelm Urban, Stepan},
	month = {May},
	pages = {9},
	type = {Article},
	abstract = {The rotational spectra of the fluorosulfate (FSO3 center dot) molecular radical in its vibronic ground state were measured in the millimeter-wave region and analyzed in detail using the matrix elements of the rotational, fine, and hyperfine Hamiltonian terms. The analysis of the assigned transition frequencies made it possible to derive very precise values of the rotational, centrifugal distortion and fine structure constants and to confirm the C-3v molecular symmetry of the vibronic ground state unambiguously. In addition, an effective parameter of the "A(1)-A(2) splitting" was determined. The rotational transitions of the FSO3 center dot free radical were observed, identified, and analyzed for the first time.},
	keywords = {ASSIGNMENTS, BANDS, CLASSIFICATION, fluorine compounds, free radical reactions, ground states, HYPERFINE, LASER EXCITATION, lifetimes, millimetre wave spectra, molecular configurations, radiative, rotational states, STRUCTURE, SYMMETRIC-TOP MOLECULES, SYSTEM, vibronic states},
	isbn = {0021-9606},
	url = {<Go to ISI>://000266263200023},
	author = {Kolesnikova, L. and Varga, J. and Striteska, L. N. and Beckers, H. and Willner, H. and Aubke, F. and Urban, S.}
}
@article {2418,
	title = {Vapour-liquid phase transition of dipolar particles},
	journal = {Molecular Physics},
	volume = {107},
	number = {4-6},
	year = {2009},
	note = {ISI Document Delivery No.: 448EATimes Cited: 5Cited Reference Count: 54Ganzenmueller, Georg Patey, G. N. Camp, Philip J.},
	pages = {403-413},
	type = {Article},
	abstract = {The question of whether a vapour-liquid phase transition exists in systems of particles with purely dipolar interactions is examined. New Monte Carlo simulation results are presented for the dipolar Yukawa hard sphere (DYHS) fluid with very small values of the attractive Yukawa well depth, almost two orders of magnitude smaller than the characteristic dipolar interaction energy. In this way, it is possible to approach the dipolar hard sphere (DHS) limit. It is found that phase separation is not observable beyond a critical value of the Yukawa energy parameter, even though in thermodynamic and structural terms, the DYHS and DHS systems are very similar. It is suggested that either some very subtle physics distinguishes the DYHS and DHS systems, or the observation of a phase transition in DHSs is precluded by finite-size effects.},
	keywords = {BEHAVIOR, COEXISTENCE, dipolar hard spheres, FERROFLUIDS, FLUIDS, HARD-SPHERES, Monte Carlo simulation, MONTE-CARLO, ORDER, SIMULATION, SYSTEM, THERMODYNAMICS, vapour-liquid transition},
	isbn = {0026-8976},
	url = {<Go to ISI>://000266244700014},
	author = {Ganzenmuller, G. and Patey, G. N. and Camp, P. J.}
}
@article {2309,
	title = {Conformations of Gas-Phase Ions of Ubiquitin, Cytochrome c, Apomyoglobin, and beta-Lactoglobulin Produced from Two Different Solution Conformations},
	journal = {Journal of the American Society for Mass Spectrometry},
	volume = {19},
	number = {12},
	year = {2008},
	note = {ISI Document Delivery No.: 385IWTimes Cited: 2Cited Reference Count: 36Wright, P. John Zhang, Jianmin Douglas, D. J.},
	month = {Dec},
	pages = {1906-1913},
	type = {Article},
	abstract = {At low pH in solutions of 50\% methanol, proteins form expanded denatured states (the "H" state). In 90\% methanol, proteins form expanded helical denatured states with artificial alpha-helices (the "H-c" state). Gas-phase ions of ubiquitin, cytochrome c, apomyoglobin, and native and disulfide-reduced beta-lactoglobulin were formed by electrospray ionization (EST) of the proteins from the H and H-c states in solution. Both states in solution produce the same charge states in EST. The conformations of the ions were studied with cross section measurements and gas-phase H/D exchange experiments. The cross sections show that the ions retain considerable folded structure. For a given protein and given charge state, ions produced from the H and H-c states showed the same cross sections (within similar to 1\%). Ions of cytochrome c, apomyoglobin, and native and reduced beta-lactoglobulin of a given charge state showed no differences in H/D exchange level when produced from the H or H-c state. However, ubiquitin ions produced from the H-c state consistently exchange fewer (similar to 13\%) hydrogens than ions produced from the H state, suggesting that in this case the gas-phase protein ions retain some memory of their solution conformations. (J Am Soc Mass Spectrom 2008, 19, 1906-1913) (c) 2008 Published by Elsevier Inc. on behalf of American Society for Mass Spectrometry},
	keywords = {CIRCULAR-DICHROISM, COLLISION CROSS-SECTIONS, H/D EXCHANGE, HYDROGEN/DEUTERIUM EXCHANGE, IONIZATION MASS-SPECTROMETRY, MYOGLOBIN, OF-FLIGHT, PROTEIN IONS, STABILITY, SYSTEM, TRAP},
	isbn = {1044-0305},
	url = {<Go to ISI>://000261808900023},
	author = {Wright, P. J. and Zhang, J. M. and Douglas, D. J.}
}
@article {1333,
	title = {The bogorol family of antibiotics: Template-based structure elucidation and a new approach to positioning enantiomeric pairs of amino acids},
	journal = {Journal of Organic Chemistry},
	volume = {71},
	number = {16},
	year = {2006},
	note = {ISI Document Delivery No.: 067XTTimes Cited: 10Cited Reference Count: 29Barsby, Todd Warabi, Kaoru Sorensen, Dan Zimmerman, William T. Kelly, Michael T. Andersen, Raymond J.},
	month = {Aug},
	pages = {6031-6037},
	type = {Article},
	abstract = {The sequence positions of D and L Leu and Lys residues in bogorol A (1) have been defined by a simple and novel approach that utilizes small amounts of sample and focuses on detecting the order in which amino acids are liberated from the parent peptide during acid-catalyzed hydrolysis. This technique builds on a previously established relationship between the steric and electronic features of amino acids and their predilection for acidic liberation from polypeptides via dipeptides. The results, which complete the structure of bogorol A, have been confirmed by traditional degradation experiments. Utilizing the knowledge of the structure of bogorol A (1) as a template, we rapidly elucidated the structures of bogorols B-E (2-5) via analysis of ESI-MS and ESI-MS/ MS data and GC analysis of degradation products. The bogorol cationic peptide antibiotics contain a number of unusual structural features, which include the reduction of the C-terminal residue to valinol, an N-terminal residue of 2-hydroxy-3-methylpentanoic acid, the incorporation of four D amino acids, and the presence of a dehydroamino acid. Bogorols show selective and relatively potent activity against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus spp., as well as moderate activity against Escherichia coli.},
	keywords = {ANTIMICROBIAL PEPTIDE, BACILLUS, CONVERSION, CULTURE, resistance, SYSTEM, THREONINE, TROPICAL MARINE BACTERIUM},
	isbn = {0022-3263},
	url = {<Go to ISI>://000239336600025},
	author = {Barsby, T. and Warabi, K. and Sorensen, D. and Zimmerman, W. T. and Kelly, M. T. and Andersen, R. J.}
}
@article {1545,
	title = {Characterization of de novo four-helix bundles by molecular dynamics simulations},
	journal = {Proteins-Structure Function and Bioinformatics},
	volume = {64},
	number = {3},
	year = {2006},
	note = {ISI Document Delivery No.: 064QITimes Cited: 5Cited Reference Count: 34Scott, Walter R. P. Seo, Emily Huttunen, Heidi Wallhorn, Diana Sherman, John C. Straus, Suzana K.},
	month = {Aug},
	pages = {719-729},
	type = {Article},
	abstract = {We have investigated the structure and dynamics of three cavitand-based four-helix bundles (caviteins) by computer simulation. In these systems, designed de novo, each of the four helices contain the identical basis sequence EELLKKLEELLKKG (N1). Each cavitein consists of a rigid macrocycle (cavitand) with four aryl linkages, to each of which is connected an NI peptide by means of a linker peptide. The three caviteins studied here differ only in the linker peptide, which consist of one, two, or three glycine residues. Previous experimental work has shown that these systems exhibit very different behavior in terms of stability and oligomerization states despite the small differences in the linker peptide. Given that to date no three-dimensional structure is available for these caviteins, we have undertaken a series of molecular dynamics (MD) simulations in explicit water to try to rationalize the large differences in the experimentally observed behavior of these systems. Our results provide insight, for the first time, into why and how the cavitein with a single glycine linker forms dimers. In addition, our results indicate why although the two- and three-glycine-linked caviteins have similar stabilities, they have different native-like characteristics: the cavitein with three glycines can form a supercoiled helix, whereas the one with two glycines cannot. These findings may provide a useful guide in the rational de novo design of novel proteins with finely tunable structures and functions in the future.},
	keywords = {caviteins, de novo four-helix bundle, DESIGN, DOMAIN, HELICAL BUNDLES, molecular dynamics simulations, PEPTIDE, PROTEIN DESIGN, PROTEINS, STATE, SYSTEM, TASP, template-assembled synthetic protein},
	isbn = {0887-3585},
	url = {<Go to ISI>://000239103800014},
	author = {Scott, W. R. P. and Seo, E. and Huttunen, H. and Wallhorn, D. and Sherman, J. C. and Straus, S. K.}
}
@article {1365,
	title = {Low-N lines of the A(6)Sigma(+)-X-6 Sigma(+) (1,0) band of CrH},
	journal = {Physical Chemistry Chemical Physics},
	volume = {8},
	number = {7},
	year = {2006},
	note = {ISI Document Delivery No.: 019BRTimes Cited: 3Cited Reference Count: 20},
	month = {Feb},
	pages = {822-826},
	type = {Article},
	abstract = {{The (1,0) band of the A(6)Sigma(+) - X-6 Sigma(+) electronic transition of CrH has been observed by laser-induced fluorescence following the reaction of laser-ablated Cr atoms with methanol under supersonic free-jet cooled conditions. Rotational assignments of the levels with N <= 3 have been made by combination differences and dispersed fluorescence experiments on selected lines. These assignments complement those made from previously-recorded Fourier transform emission spectra, in which higher-N lines were assigned. The low-N rotational levels are extensively perturbed, presumably by levels of the a(4)Sigma(+)},
	keywords = {LASER MAGNETIC-RESONANCE, SPECTRUM, STATE, SYSTEM, TRANSFORM EMISSION-SPECTROSCOPY, TRANSITION},
	isbn = {1463-9076},
	url = {<Go to ISI>://000235811100004},
	author = {Chowdhury, P. K. and Merer, A. J. and Rixon, S. J. and Bernath, P. F. and Ram, R. S.}
}
@article {1616,
	title = {Rovibrational characterization of X-2 Sigma(+) (BH+)-B-1 by the extrapolation of photoselected high Rydberg series in (BH)-B-11},
	journal = {Journal of Chemical Physics},
	volume = {124},
	number = {14},
	year = {2006},
	note = {ISI Document Delivery No.: 032TDTimes Cited: 4Cited Reference Count: 31},
	month = {Apr},
	pages = {6},
	type = {Article},
	abstract = {Optical-optical-optical triple-resonance spectroscopy of (BH)-B-11 isolates high Rydberg states that form series converging to rotational state specific ionization potentials in the vibrational levels of (BH+)-B-11 from nu(+)=0 through 4. Limits defined by a comprehensive fit of these series to state-detailed thresholds yield rovibrational constants describing the X (2)Sigma(+) state of (BH+)-B-11. The data provide a first determination of the vibrational-rotational interaction parameter alpha(e)=0.4821 cm(-1) and a more accurate estimate of omega(e)=2526.58 cm(-1) together with the higher-order anharmonic terms omega(e)x(e)=61.98 cm(-1) and omega(e)y(e)=-1.989 cm(-1). The deperturbation and global fit of series to state-detailed limits also yield a precise value of the adiabatic ionization potential of (BH)-B-11 of 79 120.3 +/- 0.1 cm(-1), or 9.810 33 +/- 1x10(-5) eV. High precision is afforded here by the use of graphical analysis techniques, narrow-bandwidth laser systems, and an analysis of newly observed, high principal quantum number Rydberg states that conform well with Hund{\textquoteright}s case (d) electron-core coupling limit. (c) 2006 American Institute of Physics.},
	keywords = {ABINITIO CALCULATIONS, ABSORPTION-SPECTRUM, BH, BORON, CONSTANTS, POTENTIAL-ENERGY SURFACES, STATES, SYSTEM, ULTRAVIOLET},
	isbn = {0021-9606},
	url = {<Go to ISI>://000236796700031},
	author = {Viteri, C. R. and Gilkison, A. T. and Rixon, S. J. and Grant, E. R.}
}
@article {1125,
	title = {Carbohydrate-bearing 3-hydroxy-4-pyridinonato complexes of gallium(III) and indium(III)},
	journal = {Bioconjugate Chemistry},
	volume = {16},
	number = {6},
	year = {2005},
	note = {ISI Document Delivery No.: 985QSTimes Cited: 17Cited Reference Count: 38},
	month = {Nov-Dec},
	pages = {1597-1609},
	type = {Article},
	abstract = {Gallium and indium complexes with pendant carbohydrates have been prepared and examined for their potential as radiopharmaceuticals. Carbohydrate-bearing 3-hydroxy-4-pyridinone ligand precursors and their tris(ligand)gallium(III) and -indium(III) complexes were synthesized and characterized by mass spectrometry, elemental analysis, and H-1 and C-13 NMR spectroscopy, and in the case of one intermediate, by X-ray crystallography. With three equivalents of ligand, neutral complexes formed with the bidentate hydroxypyridinone moiety complexing the gallium(III) and indium(III) metal centers.},
	keywords = {aluminum, ANALOGS, CITRATE, GLUCOSE, INVIVO, SYSTEM, TC-99M},
	isbn = {1043-1802},
	url = {<Go to ISI>://000233393800036},
	author = {Green, D. E. and Ferreira, C. L. and Stick, R. V. and Patrick, B. O. and Adam,Michael J. and Orvig, Chris}
}
@article {1125,
	title = {Carbohydrate-bearing 3-hydroxy-4-pyridinonato complexes of gallium(III) and indium(III)},
	journal = {Bioconjugate Chemistry},
	volume = {16},
	number = {6},
	year = {2005},
	note = {ISI Document Delivery No.: 985QSTimes Cited: 17Cited Reference Count: 38},
	month = {Nov-Dec},
	pages = {1597-1609},
	type = {Article},
	abstract = {Gallium and indium complexes with pendant carbohydrates have been prepared and examined for their potential as radiopharmaceuticals. Carbohydrate-bearing 3-hydroxy-4-pyridinone ligand precursors and their tris(ligand)gallium(III) and -indium(III) complexes were synthesized and characterized by mass spectrometry, elemental analysis, and H-1 and C-13 NMR spectroscopy, and in the case of one intermediate, by X-ray crystallography. With three equivalents of ligand, neutral complexes formed with the bidentate hydroxypyridinone moiety complexing the gallium(III) and indium(III) metal centers.},
	keywords = {aluminum, ANALOGS, CITRATE, GLUCOSE, INVIVO, SYSTEM, TC-99M},
	isbn = {1043-1802},
	url = {<Go to ISI>://000233393800036},
	author = {Green, D. E. and Ferreira, C. L. and Stick, R. V. and Patrick, B. O. and Adam,Michael J. and Orvig, Chris}
}
@article {1237,
	title = {Effects of solvent flow, dopant flow, and lamp current on dopant-assisted atmospheric pressure photoionization (DA-APPI) for LC-MS. Ionization via proton transfer},
	journal = {Journal of the American Society for Mass Spectrometry},
	volume = {16},
	number = {8},
	year = {2005},
	note = {ISI Document Delivery No.: 952BFTimes Cited: 42Cited Reference Count: 37},
	month = {Aug},
	pages = {1275-1290},
	type = {Article},
	abstract = {In this paper, the effects of solvent flow, dopant flow, and lamp power on proton transfer ionization in dopant-assisted (DA) atmospheric pressure photoionization (APPI) are investigated. A broad theoretical framework is presented, describing the primary photoionization process, the formation of protonated-solvent cluster ions, and the balance between analyte ion creation via proton transfer and loss via recombination. The principal experimental test system utilized methanol as the solvent, toluene as the dopant, and acridine as the analyte. Comparisons are made between acridine and a less basic compound, 9-methylanthracene (9-MA). Experimental determinations of the trends in the analyte MH+ signal and the total ion current (TIC) with variations in the subject parameters are provided. Experimental results and theory demonstrate that both the analyte signal and the TIC approach asymptotic limits with increases in dopant flow and/or lamp current (two factors which dictate the rate of photoion generation). The data show that these limits are lowered at higher solvent flow rates. These results are attributed to the recombination loss process, the rate of which increases with the second power of ion concentration. We deduce that the recombination rate constant increases with solvent flow rate, a consequence of the growth of ion-solvent clusters. Cluster growth is also believed to be a factor in the dramatic loss of sensitivity for 9-MA that occurs as the solvent flow is raised, because larger protonated-solvent cluster ions have greater solvation energies and may be unreactive with compounds having low gas-phase basicity and/or low solvation energy.},
	keywords = {DETECTOR, GAS-PHASE, ION-SOURCE, LIQUID-CHROMATOGRAPHY, MASS-SPECTROMETRY, METHANOL, PLASMA, SENSITIVITY, SOLVATION, SYSTEM},
	isbn = {1044-0305},
	url = {<Go to ISI>://000230975700009},
	author = {Robb, D. B. and Blades, M. W.}
}
@article {1110,
	title = {Homoleptic, sigma-bonded octahedral superelectrophilic metal carbonyl cations of iron(II), ruthenium(II), and osmium(II). Part 2: Syntheses and characterizations of [M(CO)(6)][BF4](2) (M = Fe, Ru, Os)},
	journal = {Inorganic Chemistry},
	volume = {44},
	number = {12},
	year = {2005},
	note = {ISI Document Delivery No.: 934LPTimes Cited: 8Cited Reference Count: 51},
	month = {Jun},
	pages = {4206-4214},
	type = {Article},
	abstract = {As the first examples of homoleptic, sigma-bonded superelectrophilic metal carbonyl cations with tetrafluoroborate [BF4](-) as the counter anions three thermally stable salts of the composition [M(CO)(6)][BF4](2) (M = Fe, Ru, Os) have been synthesized and extensively characterized by thermochemical, structural, and spectroscopic methods. A common synthetic route, the oxidative carbonylation of either Fe(CO)(5) (XeF2 as the oxidizer) or M-3(CO)(12) (M = Ru, Os) (F-2 as the oxidizer) in the conjugate Bronsted-Lewis superacid HF/BF3, was employed. The thermal behavior of the three salts, studied by differential scanning calorimetry (DSC) and gas-phase IR spectroscopy of the decomposition products, has been compared to that of the corresponding [SbF6](-) salts. The molecular structures Of [M(CO)(6)][BF4](2) (M = Fe, Os) were obtained by single-crystal X-ray diffraction at 100 K. X-ray powder diffraction data for [M(CO)(6)][BF4](2) (M = Ru, Os) were obtained between 100 and 300 K in intervals of 50 K. All three salts are isostructural and crystallized in the tetragonal space group I4/m (No. 87). As for the corresponding [M(CO)(6)][SbF6](2) salts (M = Fe, Flu, Os), similar unit cell parameters and vibrational fundamentals were also found for the three [BF4](-) compounds. For the structurally characterized salts [M(CO)(6)][BF4](2) (M =. Fe, Os), very similar bond parameters for both cations and anions were found. Hence, the invariance of structural and spectroscopic properties Of [M(CO)(6)](2+) cations (M = Fe, Ru, Os) extended from the fluoroantimonates [Sb2F11](-) and [SbF6](-) as counteranions also to [BF4](-).},
	keywords = {ANTIMONY PENTAFLUORIDE, CHEMISTRY, GAS-PHASE, LEWIS-ACIDS, MAS-NMR-SPECTRA, MOLECULAR-STRUCTURE, SPECTROSCOPIC PROPERTIES, SYSTEM, UNDECAFLUORODIANTIMONATE(V), VIBRATIONAL-SPECTRA},
	isbn = {0020-1669},
	url = {<Go to ISI>://000229710600022},
	author = {Finze, M. and Bernhardt, E. and Willner, H. and Lehmann, C. W. and Aubke, F.}
}
@article {1097,
	title = {Linear ion traps in mass spectrometry},
	journal = {Mass Spectrometry Reviews},
	volume = {24},
	number = {1},
	year = {2005},
	note = {ISI Document Delivery No.: 888OJTimes Cited: 73Cited Reference Count: 145},
	month = {Jan-Feb},
	pages = {1-29},
	type = {Review},
	abstract = {Linear ion traps are finding new applications in many areas of mass spectrometry. In a linear ion trap, ions are confined radially by a two-dimensional (2D) radio frequency (RF) field, and axially by stopping potentials applied to end electrodes. This review focuses on linear ion trap instrumentation. Potentials and ion motion in linear multipole fields and methods of ion trapping, cooling, excitation, and isolation are described. This is followed by a description of various mass discrimination effects that have been reported with linear ion traps. Linear ion traps combined in various ways with three-dimensional (3D) traps, time-of-flight (TOF) mass analyzers, and Fourier transform ion cyclotron resonance mass spectrometers are then given. Linear ion traps can be used as stand alone mass analyzers, and their use for mass analysis by Fourier transforming image currents, by mass selective radial ejection, and by mass selective axial ejection are reviewed. (C) 2004 Wiley Periodicals, Inc.},
	keywords = {analysis, CYCLOTRON-RESONANCE, ELECTROSPRAY-IONIZATION, EXCITATION, EXTERNAL ACCUMULATION, FRINGING FIELDS, INVERSE FOURIER-TRANSFORM, ion traps, linear multipoles, mass, MOLECULE REACTION, OCTOPOLE FIELDS, OF-FLIGHT, QUADRUPOLE, RADIOFREQUENCY, RESONANCE, space charge, STORAGE ASSISTED DISSOCIATION, SYSTEM},
	isbn = {0277-7037},
	url = {<Go to ISI>://000226383800001},
	author = {Douglas, D. J. and Frank, A. J. and Mao, D. M.}
}
@article {1067,
	title = {Preparation of [meso-tetraphenylchlorophinato]nickel(II) by stepwise deformylation of [meso-tetraphenyl-2,3-diformyl-secochlorinato]nickel(II): conformational consequences of breaking the structural integrity of nickel porphyrins},
	journal = {Inorganica Chimica Acta},
	volume = {358},
	number = {10},
	year = {2005},
	note = {ISI Document Delivery No.: 941PBTimes Cited: 10Cited Reference Count: 66},
	month = {Jun},
	pages = {2943-2953},
	type = {Article},
	abstract = {The stepwise, Wilkinson{\textquoteright}s catalyst-induced decarbonylation of [meso-tetraphenyl-2,3-diformylsecochlorinato]Ni(II) (4) to produce the monoformylated pigment [meso-tetraphenyl-2-formylsecochlorinato] (5) and [meso-tetrapheiiylchlorophinato]Ni(II) (6) is described. Thus, we have shown how to degrade one pyrrolic unit of the starting material, [meso-tetraphetiylporphyrinato]Ni(II) (2) in three steps to an aldimine linkage. The conformational changes of the porphyrinic macrocycle during the course of this degradation, as determined by comparison of the X-ray crystal structures of the compounds, are discussed. A comparative study delineates the UV-Vis spectroscopical consequences. In addition, the chemical reactivity of [meso-tetraphenylchlorophinato]Ni(II) (6) suggests the existence of an azepine-derived pyrrole-modified porphyrins (11, 12). (c) 2004 Elsevier B.V. All rights reserved.},
	keywords = {CHEMISTRY, CHIRALITY-MEMORY MOLECULE, CHLORIN, CHLOROPHIN, chlorophins, COMPLEXES, ELECTRONIC-SPECTRA, macrocycle, METHYLCOENZYME-M REDUCTASE, nickel(II) porphyrin conformations ruffling, porphyrins, secochlorins, SYSTEM, TUNICATE TRIDIDEMNUM-SOLIDUM, Wilkinson{\textquoteright}s catalyst},
	isbn = {0020-1693},
	url = {<Go to ISI>://000230225600013},
	author = {Bruckner, C. and Hyland, M. A. and Sternberg, E. D. and Macalpine, J. K. and Rettig, S. J. and Patrick, B. O. and Dolphin, D.}
}
@article {719,
	title = {Laser spectroscopy of VS: hyperfine and rotational structure of the C-4 Sigma(-)-X-4 Sigma(-) transition},
	journal = {Journal of Molecular Spectroscopy},
	volume = {220},
	number = {1},
	year = {2003},
	note = {ISI Document Delivery No.: 699VMTimes Cited: 11Cited Reference Count: 20},
	month = {Jul},
	pages = {87-106},
	type = {Article},
	abstract = {The (0,0) and (0, 1) bands of the C(4)Sigma(-)-X(4)Sigma(-) electronic transition of VS (near 809 and 846 nm, respectively) have been recorded at high resolution by laser-induced fluorescence, following the reaction of laser-ablated vanadium atoms with CS2 under supersonic free-jet conditions. A least squares fit to the resolved hyperfine components of the rotational lines gives the rotational constants and bond lengths as C(4)Sigma(-): B-o = 0.188898 +/- 0.000027 cm(-1), r(o) = 2.1315 Angstrom; X(4)Sigma(-): B-0 = 0.203684 +/- 0.000025 cm(-1), r(o) = 2.0526 Angstrom. The electron spin parameters for the two states show that there are some similarities between the states of VS and those of VO, but the hyperfine parameters show that the compositions of the partly filled molecular orbitals are by no means the same. The ground state Fermi contact parameter of VS, b (X(4)Sigma(-)), is only 58\% of that of the ground state of VO, which implies that the sigma orbital of the ground sigmadelta(2) electron configuration has less than 50\% vanadium 4s character. Similarly, the excited state Fermi contact parameter, b(C(4)Sigma(-)), is very much smaller than that of VO. No local rotational perturbations have been found in the C(4)Sigma(-) state of VS, though an internal hyperfine perturbation between the F-2 and F-3 electron components at low N confuses the hyperfine structure and induces some forbidden (DeltaJ = +/-2) rotational branches. (C) 2003 Elsevier Science (USA). All rights reserved.},
	keywords = {BAND, ELECTRONIC STATES, NBO, OXIDES, PERTURBATIONS, RESOLUTION, S-STARS, SPECTRA, SYSTEM, VO},
	isbn = {0022-2852},
	url = {<Go to ISI>://000184076700010},
	author = {Ran, Q. and Tam, W. S. and Cheung, A. S. C. and Merer, A. J.}
}
@article {477,
	title = {Chiral separation of benzoporphyrin derivative mono- and diacids by laser induced fluorescence-capillary electrophoresis},
	journal = {Electrophoresis},
	volume = {23},
	number = {1},
	year = {2002},
	note = {ISI Document Delivery No.: 513ZATimes Cited: 9Cited Reference Count: 42},
	month = {Jan},
	pages = {93-101},
	type = {Article},
	abstract = {A method for the separation of benzoporphyrin derivative mono- and diacid (BPDMA, BPDDA) enantiomers; by laser induced fluorescence-capillary electrophoresis (LIF-CE) has been developed. By using 300 mm borate buffer, pH 9.2, 25 mm sodium cholate and 10\% acetronitrile as electrolyte, +10 kV electrokinetic sampling injection of 2 s and an applied +20 kV voltage across the ends of a 37 cm capillary (30 cm to the detector, 50 mum ID), all six BPD stereoisomers; were baseline-separated within 20 min. Formation constants, free electrophoretic and complexation mobilities with borate and cholate were determined based on dynamic complexation capillary electrophoresis theory. The BPD enantiomers can be quantitatively determined in the range of 10(-2)-10(-5) mg mL(-1). The correlation coefficients (r(2)) of the least-squares linear regression analysis of the BPD enantiomers are in the range of 0.9914-0.9997. Their limits of detection are 2.18-3.5 x 10(-3) mg mL(-1). The relative standard deviations for the separation were 2.90-4.64\% (n = 10). In comparison with high-performance liquid chromatography (HPLC), CE has better resolution and efficiency. This separation method was successfully applied to the BPD enantiomers obtained from a matrix of bovine serum and from liposomally formulated material as well as from studies with rat, dog and human microsomes.},
	keywords = {benzoporphyrin derivative mono- and diacids, BORATE COMPLEXATION, capillary electrophoresis, DYNAMIC COMPLEXATION MODEL, MIGRATION BEHAVIOR, PERFORMANCE LIQUID-CHROMATOGRAPHY, PHOTODYNAMIC THERAPY, PHOTOSENSITIZER, porphyrins, QUANTITATIVE DESCRIPTION, SYSTEM, TUMOR, ZONE ELECTROPHORESIS},
	isbn = {0173-0835},
	url = {<Go to ISI>://000173410100014},
	author = {Peng, X. J. and Sternberg, E. and Dolphin, D.}
}
@article {439,
	title = {Hydrogen/deuterium exchange of myoglobin ions in a linear quadrupole ion trap},
	journal = {Rapid Communications in Mass Spectrometry},
	volume = {16},
	number = {20},
	year = {2002},
	note = {ISI Document Delivery No.: 604ADTimes Cited: 10Cited Reference Count: 26},
	pages = {1941-1945},
	type = {Article},
	abstract = {The hydrogen/deuterium (H/D) exchange of gas-phase ions of holo- and apo-myoglobin has been studied by confining the ions in a linear quadrupole ion trap with D2O or CD3OD at a pressure of several mTorr. Apo-myoglobin ions were formed by collision-induced dissociation of holomyoglobin ions between the orifice and skimmer of the ion sampling system. The exchange takes place on a time scale of seconds. Earlier cross section measurements have shown that holomyoglobin ions can have more compact structures than apo-myoglobin. Despite this, both holomyoglobin and apo-myoglobin in charge states +8 to +14 are found to exchange nearly the same number of hydrogens (ca. 103) in 4 s. It is possible the ions fold or unfold to new conformations on the much longer time scale of the exchange experiment compared with the cross section measurements. Copyright (C) 2002 John Wiley Sons, Ltd.},
	keywords = {COLLISION CROSS-SECTIONS, CYTOCHROME-C, GAS-PHASE, HEME, HOLOMYOGLOBIN, HYDROGEN-DEUTERIUM EXCHANGE, MASS-SPECTROMETRY, OF-FLIGHT, PROTEIN IONS, STABILITY, SYSTEM},
	isbn = {0951-4198},
	url = {<Go to ISI>://000178592700007},
	author = {Mao, D. M. and Ding, C. F. and Douglas, D. J.}
}
@article {5103,
	title = {Anomalous vibrational dependence of the rotational and hyperfine parameters in the B-4 Pi-X-4 Sigma(-) transition of NbO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {207},
	number = {1},
	year = {2001},
	note = {ISI Document Delivery No.: 435ZYTimes Cited: 3Cited Reference Count: 19},
	month = {May},
	pages = {104-112},
	type = {Article},
	abstract = {The laser excitation spectrum of jet-cooled NbO in the region 16 000-18 000 cm(-1) has been recorded at high resolution, giving rotational and hyperfine constants for the levels v = 0-3 of the B(4)Pi state and v = 1 of the X(4)Sigma (-) state; zero gaps have also been measured at low resolution for some weaker bands involving higher vibrational levels. Taken together with the laser data for the B-X (0,0) band from Adam et al. (J. Chem. Phys. 94, 6240-6262 (1994)) and the Fourier transform emission data for the doublet manifold from Launila et al. (J. Mol. Spectrosc. 186, 131-143 (1997)), the new data give a very complete picture of the vibrational energy level pattern in this region. Strong irregularities in the vibrational dependences of the B(4)Pi rotational and hyperfine constants can be interpreted in terms of spin-orbit interaction between the B(4)Pi state and the f(2)Pi, c(2)phi, and d(2)Delta states. The interaction is strong enough that all three doublet states can be seen in absorption from the X(4)Sigma (-) ground state, adding to the complexity of the spectrum. The hitherto unknown sigma delta sigma* (4)Delta state is estimated to lie near 17 500 cm(-1), from the change of sign in the spin-rotation parameter gamma of the B(4)Pi state between v = 2 and 3. (C) 2001 Academic Press.},
	keywords = {SPECTRA, SPECTROSCOPY, STATE, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://000168913100016},
	author = {Kingston, C. T. and Liao, C. K. D. and Merer, A. J. and Tang, S. J.}
}
@article {4934,
	title = {The electronic spectrum of germanium methylidyne (GeCH), the prototypical organogermanium compound},
	journal = {Journal of Chemical Physics},
	volume = {112},
	number = {19},
	year = {2000},
	note = {ISI Document Delivery No.: 309QCTimes Cited: 11Cited Reference Count: 30},
	month = {May},
	pages = {8417-8425},
	type = {Article},
	abstract = {The (A) over tilde (2)Sigma(+)-(X) over tilde (2)Pi(i) electronic transition of jet-cooled germanium methylidyne has been recorded in the 730-555 nm region by laser-induced fluorescence techniques. The radical was produced in a pulsed electric discharge using tetramethylgermane as the precursor. The band system consists of perpendicular and vibronically induced parallel bands with upper state frequencies of nu(2){\textquoteright}=638/497 cm(-1) and nu(3){\textquoteright}=990/952 cm(-1) for GeCH/GeCD. The (2)Sigma(+)-(2)Pi(3/2) components of the 0(0)(0) bands of GeCH and GeCD and the 2(0)(1) band of GeCH have been recorded with sufficient resolution to assign the transitions of the Ge-70, Ge-72, Ge-74, and Ge-76 isotopomers. The rotational constants of the various hydrogen and germanium isotopomers were used to derive the following molecular structures: r(0)"(Ge-C)=1.775 79(21) Angstrom, r(0)"(C-H)=1.0673(12) Angstrom, r(0){\textquoteright}(Ge- C)=1.673 66(8) Angstrom, and r(0){\textquoteright}(C-H)=1.0589(5) Angstrom. The ground state germanium-carbon bond length is typical for a Ge=C double bond, but in the excited state it corresponds to a triple bond. This is a consequence of promotion of an electron from a nonbonding sigma orbital to a pi bonding orbital to form the ...sigma(1)pi(4)((2)Sigma(+)) excited state. In this study we provide the first experimental value for the length of the germanium-carbon triple bond. (C) 2000 American Institute of Physics. [S0021-9606(00)01619-6].},
	keywords = {MOLECULAR-STRUCTURE, PARAMETERS, SPECTROSCOPY, SYSTEM},
	isbn = {0021-9606},
	url = {<Go to ISI>://000086778300024},
	author = {Smith, T. C. and Li, H. Y. and Clouthier, D. J. and Kingston, C. T. and Merer, A. J.}
}
@article {4935,
	title = {The electronic spectrum of silicon methylidyne (SiCH), a molecule with a silicon-carbon triple bond in the excited state},
	journal = {Journal of Chemical Physics},
	volume = {112},
	number = {8},
	year = {2000},
	note = {ISI Document Delivery No.: 284RDTimes Cited: 22Cited Reference Count: 56},
	month = {Feb},
	pages = {3662-3670},
	type = {Article},
	abstract = {The (A) over tilde (2)Sigma(+)-X (2)Pi(i) transition of jet-cooled silicon methylidyne, SiCH, has been recorded by laser-induced fluorescence in the 850-600 nm region. The radical was produced in an electric discharge using tetramethylsilane as the precursor. Fifteen cold bands of SiCH and 16 bands of SiCD have been assigned vibrationally, giving the upper state frequencies as v(2)({\textquoteright})=715/558 cm(-1) and v(3)({\textquoteright})=1168/1127 cm(-1) for SiCH/SiCD. Rotational analysis of the 0(0)(0) and 3(0)(3) bands for each isotopomer has given the following molecular structures: r(0)({\textquoteright})(Si-C)=1.692 52(8), r(0)({\textquoteright})(C-H)=1.0677(4), r(0)({\textquoteright})(Si-C)=1.6118(1), and r(0)({\textquoteright})(C-H)=1.0625(5) Angstrom. The silicon-carbon bond length in the X (2)Pi ground state of SiCH (electron configuration ...sigma(2)pi(3)) is typical for a Si=C double bond; in the (A) over tilde (2)Sigma(+) excited state (...sigma(1)pi(4)) it corresponds to a triple bond. This work provides the first experimental measurement of the length of the carbon-silicon triple bond. (C) 2000 American Institute of Physics. [S0021-9606(00)00508-0].},
	keywords = {DISCHARGE JET SPECTROSCOPY, FREQUENCIES, GAS-PHASE, GEOMETRY, laser spectroscopy, MONOFLUOROSILYLENE, ROTATIONAL ANALYSIS, SIMPLEST UNSATURATED SILYLENE, SYSTEM, TRANSITION, vibrational},
	isbn = {0021-9606},
	url = {<Go to ISI>://000085345300022},
	author = {Smith, T. C. and Li, H. Y. and Clouthier, D. J. and Kingston, C. T. and Merer, A. J.}
}
@article {4834,
	title = {High-resolution spectroscopy of jet-cooled (SO2)-S-32 and (SO2)-S-34: The (a)over-tilde(3)B(1)-(X)over-tilde(1)A(1), 2(0)(1) and 1(0)(1) bands},
	journal = {Journal of Molecular Spectroscopy},
	volume = {203},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 347WMTimes Cited: 5Cited Reference Count: 20},
	month = {Sep},
	pages = {151-157},
	type = {Article},
	abstract = {Laser-induced excitation spectra of the two bands (a) over tilde(3)B(1)-(X) over tilde(1)A(1), 2(0)(1) and 1(0)(1) of (SO2)-S-32 and (SO2)-S-34 have been recorded in a supersonic jet at a resolution of 0.015 cm(-1). The rotational and electron-spin fine structure has been analyzed for both isotopic species. Analysis of the rotational and electron-spin fine structure yields precise values of the rotational constants A, B, and C and the spin constants alpha and beta for both (SO2)-S-32 and (SO2)-S-34 in the states (a) over tilde(3)B(1) (010) and (100). No interaction between these two vibrational States with any nearby triplet state is observed for rotational levels with J less than or equal to 8 and K less than or equal to 2. (C) 2000 Academic Press.},
	keywords = {ABSORPTION, AMPLIFIED SPONTANEOUS EMISSION, ROTATIONAL STRUCTURE, SO2, SPECTRUM, STATE, STIMULATED BRILLOUIN-SCATTERING, sulfur dioxide, SULFUR-DIOXIDE, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://000088952200018},
	author = {Huang, C. L. and Ju, S. S. and Chen, I. C. and Merer, A. J. and Ni, C. K. and Kung, A. H.}
}
@article {4747,
	title = {A proton nuclear magnetic resonance relaxation study of C12E6/D2O},
	journal = {Journal of Physical Chemistry B},
	volume = {104},
	number = {37},
	year = {2000},
	note = {ISI Document Delivery No.: 355JYTimes Cited: 8Cited Reference Count: 25},
	month = {Sep},
	pages = {8782-8791},
	type = {Article},
	abstract = {Aqueous solutions of the nonionic surfactant, n-dodecylhexaoxyethylene glycol [C12H25(OCH2CH2)(6)OH], termed C12E6, form various phases at room temperature: there is a micellar phase at high water content, hexagonal, cubic, and lamellar mesophases at intermediate water contents, and an isotropic phase at very low water content. Proton nuclear magnetic resonance (NMR) T-1(-1) relaxation rates have been measured for the C12E6/D2O system as a function of composition, spectral frequency, and temperature. The results are interpreted in terms of the possible molecular motions for the C12E6 molecule in the different phases. A review of relaxation theory is presented with special attention to molecular exchange between sites that are associated with different relaxation rates.},
	keywords = {CHAIN, CYCLING, LYOTROPIC LIQUID-CRYSTAL, NMR-RELAXOMETRY, PHASES, POTASSIUM PALMITATE, REPTATION, SPIN-LATTICE RELAXATION, SURFACTANTS, SYSTEM, WATER},
	isbn = {1089-5647},
	url = {<Go to ISI>://000089383600004},
	author = {Burnell, E. E. and Capitani, D. and Casieri, C. and Segre, A. L.}
}
@article {4867,
	title = {The pure rotational spectrum of ScBr},
	journal = {Physical Chemistry Chemical Physics},
	volume = {2},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 267BBTimes Cited: 12Cited Reference Count: 29},
	pages = {43-46},
	type = {Article},
	abstract = {The pure rotational spectra of (ScBr)-Br-7 9 and (ScBr)-Br-8 1 have been measured in two vibrational states (upsilon = 0 and 1) in the 5-24 GHz spectral region, using a cavity pulsed jet Fourier transform microwave spectrometer. The samples were prepared by ablating Sc metal in the presence of Br-2 contained in the Ar backing gas of the jet. The equilibrium internuclear distance r(e) has been determined along with estimates for the harmonic vibration frequency omega(e) and the dissociation energy, D-e. Nuclear quadrupole coupling constants and spin-rotation constants have been determined for both Sc and Br. The ionic character of the ScBr bond is estimated to be similar to 95\%. Magnetic shieldings for both nuclei have been estimated.},
	keywords = {HYPERFINE, MOLECULAR-BEAM, MONOBROMIDE, RF DOUBLE-RESONANCE, SCANDIUM, SPECTROSCOPY, STATE, SYSTEM, YTTRIUM},
	isbn = {1463-9076},
	url = {<Go to ISI>://000084333800006},
	author = {Lin, W. and Evans, C. J. and Gerry, M. C. L.}
}
@article {4486,
	title = {Clq binding to liposomes is surface charge dependent and is inhibited by peptides consisting of residues 14-26 of the human ClqA chain in a sequence independent manner},
	journal = {Biochimica Et Biophysica Acta-Biomembranes},
	volume = {1418},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 189EWTimes Cited: 20Cited Reference Count: 36},
	month = {Apr},
	pages = {19-30},
	type = {Article},
	abstract = {Complement activation by anionic liposomes proceeds by antibody-independent, C1q-initiated activation of the classical pathway. Purified C1q bound to anionic liposomes in an acidic lipid concentration-dependent manner. Saturation binding, but not the apparent association constant, was enhanced by increasing the cardiolipin content of the liposomes or decreasing either the pH or ionic strength of the reaction mixture. These observations indicate the involvement of electrostatic factors in the binding. A highly cationic region in the collagen-like domain of C1q comprised of residues 14-26 of the C1qA polypeptide chain was assessed for involvement in liposome binding. This region has previously been shown to mediate C1q binding to other immunoglobulin-independent activators of the classical pathway of complement. Peptides containing residues 14-26 of C1qA, denoted C1qA(14-26), inhibited C1q binding to and complement activation by anionic liposomes. The inhibitory capacity of these cationic peptides had no sequence or conformation specificity. Rather, the amount of positive charge on the peptides was the determining factor. When present in excess, peptides with five cationic residues inhibited C1q binding and complement activation; however, C1q peptides with only two cationic residues did not. In addition to the C1qA(14-26) region, other parts of C1q that contain cationic residues may also be involved in C1q binding to anionic liposomes. (C) 1999 Elsevier Science B.V. All rights reserved.},
	keywords = {1ST, ACTIVATES COMPLEMENT, C1Q A-CHAIN, CLASSICAL COMPLEMENT PATHWAY, CLEARANCE, Clq binding, COLLAGEN, COMPONENT, liposome clearance, liposome-mediated complement activation, PHAGOCYTOSIS, PROTEINS, SERUM, SYSTEM},
	isbn = {0005-2736},
	url = {<Go to ISI>://000079892300002},
	author = {Bradley, A. J. and Brooks, D. E. and Norris-Jones, R. and Devine, D. V.}
}
@article {4643,
	title = {Crystal structure and magnetic properties of polybis(formamide)bis(mu-formato)cobalt(II): An extended two-dimensional square lattice material which exhibits spontaneous magnetization below 9 K},
	journal = {Inorganic Chemistry},
	volume = {38},
	number = {6},
	year = {1999},
	note = {ISI Document Delivery No.: 180DKTimes Cited: 76Cited Reference Count: 18},
	month = {Mar},
	pages = {1360-+},
	type = {Article},
	abstract = {In the title compound extended sheets of cobalt(II) ions, linked in a square array by bridging formates, couple antiferromagnetically. Spin canting generates residual spin on the sheets, and interaction between the sheets leads to long-range ferromagnetic ordering and spontaneous magnetization below 9 K.},
	keywords = {SYSTEM},
	isbn = {0020-1669},
	url = {<Go to ISI>://000079370000047},
	author = {Rettig, S. J. and Thompson, R. C. and Trotter, J. and Xia, S. H.}
}
@article {4643,
	title = {Crystal structure and magnetic properties of polybis(formamide)bis(mu-formato)cobalt(II): An extended two-dimensional square lattice material which exhibits spontaneous magnetization below 9 K},
	journal = {Inorganic Chemistry},
	volume = {38},
	number = {6},
	year = {1999},
	note = {ISI Document Delivery No.: 180DKTimes Cited: 76Cited Reference Count: 18},
	month = {Mar},
	pages = {1360-+},
	type = {Article},
	abstract = {In the title compound extended sheets of cobalt(II) ions, linked in a square array by bridging formates, couple antiferromagnetically. Spin canting generates residual spin on the sheets, and interaction between the sheets leads to long-range ferromagnetic ordering and spontaneous magnetization below 9 K.},
	keywords = {SYSTEM},
	isbn = {0020-1669},
	url = {<Go to ISI>://000079370000047},
	author = {Rettig, S. J. and Thompson, R. C. and Trotter, J. and Xia, S. H.}
}
@article {4458,
	title = {Electronic spectra of YOH and YOD in the visible region: Strong vibronic coupling between the (B)over-tilde(1)II and (C)over-tilde(1)Sigma(+) states},
	journal = {Journal of Molecular Spectroscopy},
	volume = {196},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 208RCTimes Cited: 7Cited Reference Count: 41},
	month = {Jul},
	pages = {45-69},
	type = {Article},
	abstract = {Laser excitation spectra of yttrium monohydroxide, YOH, have been recorded in the 500-625 nm wavelength region. Rotational analysis of bands of YOH and YOD has shown that the ground state is (X) over tilde(1)Sigma(+), with the structure r(0)(Y-O) = 1.948(6) Angstrom, r(0)(O-H) = 0.920(6) Angstrom; the bending frequency (nu(2), pi) is 313.73 cm(-1) (237.43 cm(-1) in YOD) and the Y-O stretching frequency (nu(3), sigma(+)) is 673.83 cm(-1) (655.34 cm(-1)). Two excited electronic states have been identified; they are assigned as (B) over tilde(1)Pi (16 449 cm(-1)) and (C) over bar(1)Sigma(+) (18 509 cm(-1)). Unusually strong vibronic coupling through the bending vibration occurs between these two states, which causes their vibrational structures to be highly irregular; assignments have only been possible following extensive wavelength-resolved fluorescence experiments. The vibronic coupling raises the bending frequency of the (C) over tilde(1)Sigma(+) state to 457 cm(-1) and reduces that of the lower Born-Oppenheimer component of the (B) over tilde(1)Pi state (which has A{\textquoteright} symmetry in the C, point group) to the extent that the molecule becomes nonlinear, with a potential barrier at the linear configuration of about 120 cm(-1). The presence of the potential barrier is clearly demonstrated by the level structure of YOD, where the Sigma(+) vibronic component of the 010 vibrational level (linear molecule notation) lies 1.4 cm(-1) below the 000 level. The upper Born-Oppenheimer component, which has A " symmetry, is unaffected; its bending frequency is similar to that of the ground state. Perturbations occur in both the (B) over tilde(1)Pi and (C) over tilde(1)Sigma(+) states; some of these represent local interactions between the two of them, but others are caused by higher vibrational levels of lower-lying "dark" electronic states. Over 40 ground state vibrational levels have been identified for both YOH and YOD from the wavelength-resolved fluorescence spectra. (C) 1999 Academic Press.},
	keywords = {15-K, laser spectroscopy, METHYLIDYNE, ORBITAL ANGULAR-MOMENTUM, RESONANCE, SYSTEM, TRANSITION, TRIATOMIC-MOLECULES, VANADIUM, WATER},
	isbn = {0022-2852},
	url = {<Go to ISI>://000081004300006},
	author = {Adam, A. G. and Athanassenas, K. and Gillett, D. A. and Kingston, C. T. and Merer, A. J. and Peers, J. R. D. and Rixon, S. J.}
}
@article {4493,
	title = {A novel stepwise degradation of porphyrins. Synthesis and structural characterization of meso-tetraphenylchlorophinato nickel(II) and meso-tetraphenylsecochlorinato nickel(II)},
	journal = {Journal of the American Chemical Society},
	volume = {121},
	number = {11},
	year = {1999},
	note = {ISI Document Delivery No.: 180AUTimes Cited: 27Cited Reference Count: 33},
	month = {Mar},
	pages = {2609-2610},
	type = {Article},
	keywords = {CARBAPORPHYRINS, CLEAVAGE, DERIVATIVES, FLEXIBILITY, HYDROPORPHYRINS, macrocycle, SYSTEM},
	isbn = {0002-7863},
	url = {<Go to ISI>://000079363300039},
	author = {Bruckner, C. and Sternberg, E. D. and Macalpine, J. K. and Rettig, S. J. and Dolphin, D.}
}
@article {4616,
	title = {Vanadium complexes as insulin mimetic agents: Coordination chemistry and in vivo studies of oxovanadium(IV) and dioxovanadate(V) complexes formed from naturally occurring chelating oxazolinate, thiazolinate, or picolinate units},
	journal = {Inorganic Chemistry},
	volume = {38},
	number = {10},
	year = {1999},
	note = {ISI Document Delivery No.: 199BHTimes Cited: 72Cited Reference Count: 34},
	month = {May},
	pages = {2288-2293},
	type = {Article},
	abstract = {{The synthesis and characterization of four complexes containing naturally occurring binding groups are reported: VO(pic)(2). H2O (Hpic = picolinic or pyridine-2-carboxylic acid), NH4[VO2(pic)(2)]. 2H(2)O, VO(oz)(2) (Hoz = 2-(2{\textquoteright}- hydroxyphenyl)-2-oxazoline), and VO(thoz)(2) (Hthoz = 2-(2{\textquoteright}-hydroxyphenyl)-2-thiazoline). The X-ray structures of [NH4[VO2(pic)(2)]. 2H(2)O, VO(oz)(2), and VO(thoz)(2) have been determined. Crystals of NH4[VO2(pic)(2)]. 2H(2)O (C12H12N3O6V . 2H(2)O) are monoclinic, space group Cc, a 10.347(2) Angstrom},
	keywords = {BIS(MALTOLATO)OXOVANADIUM(IV), BMOV, CRYSTAL-STRUCTURE, DIABETIC RATS, GLUCOSE, NMR, SIDEROPHORE, SULFATE, SYSTEM, VANADATE},
	isbn = {0020-1669},
	url = {<Go to ISI>://000080459200009},
	author = {Melchior, M. and Thompson, K. H. and Jong, J. M. and Rettig, S. J. and Shuter, E. and Yuen, V. G. and Zhou, Y. and McNeill, J. H. and Orvig, Chris}
}
@article {4215,
	title = {Formation of a meso-tetraphenylsecochlorin and a homoporphyrin with a twist},
	journal = {Journal of Organic Chemistry},
	volume = {63},
	number = {7},
	year = {1998},
	note = {ISI Document Delivery No.: ZH679Times Cited: 40Cited Reference Count: 41},
	month = {Apr},
	pages = {2094-2098},
	type = {Article},
	abstract = {The osmium tetroxide-mediated dihydroxylation of meso-tetraphenylporphyrin leads to the formation of the vic-diol meso-tetraphenyl-2,3-vic-diol-2,3-chlorin. The corresponding Ni(II) complex was converted by lead tetraacetate into (meso-tetraphenyl-2,3-secochlorinato-2,3-dialdehyde)nickel(II) This novel pigment undergoes an almost quantitative, intramolecular double acetal formation when treated with methanol in the presence of acid to produce a porphyrinoid in which one pyrrolic unit is formally replaced by a six-membered ring. An X-ray crystal structure determination, the first for such a homoporphyrin, reveals the severely twisted conformation of its chromophore.},
	keywords = {beta, CHLOROPHIN, HYDROPORPHYRINS, OXIDATION, PORPHYRIN ANALOG, SYSTEM},
	isbn = {0022-3263},
	url = {<Go to ISI>://000073136500012},
	author = {Bruckner, C. and Rettig, S. J. and Dolphin, D.}
}
@article {3891,
	title = {(2)Pi-(X)over-tilde(2)Sigma(+) electronic bands of titanium methylidyne, TiCH, near 725 nm wavelength},
	journal = {Journal of Molecular Spectroscopy},
	volume = {181},
	number = {1},
	year = {1997},
	note = {ISI Document Delivery No.: WA945Times Cited: 24Cited Reference Count: 27},
	month = {Jan},
	pages = {168-179},
	type = {Article},
	abstract = {Electronic bands assigned to the linear TiCH and TiCD radicals have been recorded by laser-induced fluorescence in the 610-725 nm wavelength region, following the reaction of laser-ablated Ti atoms with methane under supersonic jet-cooled molecular beam conditions. Rotational analyses of high-resolution spectra have given the ground state substitution structure X(2) Sigma(+): r(g)(C-H) = 1.085 +/- 0.002 Angstrom: r(g)(Ti-C) = 1.7277 +/- 0.0003 Angstrom. The electronic upper state appears to be a very strongly perturbed (2) Pi start, with many extra rotational and vibrational levels appearing; it has nor barn possible to make vibrational assignments, though the Omega{\textquoteright} values have been established for some of the levels. Wavelength-resolved fluorescence spectra have given two of the three ground state vibrational frequencies: TiCH: nu(2)(bend) = 578 cm(-1), nu(3)(Ti-C stretch) = 855 cm(-1) TiCD: nu(2) = 442 cm(-1), nu(3) = 815 cm(-1) Vibrationally forbidden transitions to the ground state bending fundamental appear prominently in many of these spectra, as a result of strong vibronic coupling. No evidence for nu(1)(pi) (the C-Il stretching vibration) has been found. (C) 1997 Academic Press, Inc.},
	keywords = {EXCITATION SPECTRUM, FLUORESCENCE, FREQUENCY, MONOXIDE, PERTURBATIONS, RESONANCE, SPECTROSCOPY, STATES, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1997WA94500020},
	author = {Barnes, M. and Merer, A. J. and Metha, G. F.}
}
@article {3892,
	title = {Optical-optical double resonance spectroscopy of jet-cooled TiO: New (3)Phi and (3)Pi states near 4 eV},
	journal = {Journal of Molecular Spectroscopy},
	volume = {181},
	number = {1},
	year = {1997},
	note = {ISI Document Delivery No.: WA945Times Cited: 18Cited Reference Count: 21},
	month = {Jan},
	pages = {180-193},
	type = {Article},
	abstract = {{Laser excitation spectra of TiO have been recorded in the 30 500-34 500 cm(-1) energy region using the technique of optical-optical double resonance. Twenty (3) phi and 24 (3) Pi excited vibrational levels have been observed in experiments that use tile A(3) Phi and B-3 Pi electronic states as intermediates. The new levels can be assigned to our electronic states, here labeled G(3) Phi. H-3 Phi, I-3 Phi. and J(3) Pi. All the excited states are found to be perturbed to some degree; estimates of the upper state constants have been obtained from least-squares fitting of the data. Laser-induced fluorescence to a new low-lying electronic state of TiO has been observed, following excitation to the P-3 Pi and P-3 Pi states; this state lies 12 284 +/- 5 cm(-1) above the X(3) Delta(1)},
	keywords = {BAND, laser spectroscopy, ROTATIONAL ANALYSIS, SYSTEM, TITANIUM MONOXIDE},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1997WA94500021},
	author = {Barnes, M. and Merer, A. J. and Metha, G. F.}
}
@article {3767,
	title = {An enantiospecific synthetic approach to the limonoids},
	journal = {Chemical Communications},
	number = {5},
	year = {1996},
	note = {ISI Document Delivery No.: UG040Times Cited: 0Cited Reference Count: 30},
	month = {Mar},
	pages = {667-668},
	type = {Article},
	abstract = {Enone-ester 5, derived from (-)-9,10-dibromocamphor 3, is converted to a tricyclic enone 11 that may be of value in an enantiospecific synthesis of the limonoids.},
	keywords = {CAMPHOR DERIVATIVES, STEROID-SYNTHESIS, SYNTHONS, SYSTEM},
	isbn = {1359-7345},
	url = {<Go to ISI>://A1996UG04000046},
	author = {Money, T. and Richardson, S. R. and Wong, M. K. C.}
}
@article {3768,
	title = {A formal, enantiospecific synthesis of pseudoguaianolides},
	journal = {Tetrahedron},
	volume = {52},
	number = {18},
	year = {1996},
	note = {ISI Document Delivery No.: UH378Times Cited: 16Cited Reference Count: 73},
	month = {Apr},
	pages = {6307-6324},
	type = {Article},
	abstract = {The preparation of ketal-enone (3) and hydroxy-ketones (1a), (16), and (4a), from (-)-camphor (6) represents a formal enantiospecific synthesis of (+)-carpesiolin, (+)-confertin, (-)-damsin, (-)-helenalin, (+)-bigelovin, (+)-mexicanin I, and (+)-linifolin A. Copyright (C) 1996 Elsevier Science Ltd},
	keywords = {(+)-CONFERTIN, (+/-)-CONFERTIN, ANTI-TUMOR LACTONES, CAMPHOR DERIVATIVES, DL-HELENALIN, inhibitors, ROUTE, SESQUITERPENE LACTONES, STEROID-SYNTHESIS, SYSTEM},
	isbn = {0040-4020},
	url = {<Go to ISI>://A1996UH37800004},
	author = {Money, T. and Wong, M. K. C.}
}
@article {3600,
	title = {The near infrared electronic spectrum of tungsten methylidyne, WCH},
	journal = {Journal of Chemical Physics},
	volume = {105},
	number = {15},
	year = {1996},
	note = {ISI Document Delivery No.: VM554Times Cited: 19Cited Reference Count: 29},
	month = {Oct},
	pages = {6168-6182},
	type = {Article},
	abstract = {The laser excitation spectrum of tungsten methylidyne, WCH, has been recorded in the 12 000-15 400 cm(-1) region. A total of 14 vibronic bands of WCH and 16 bands of WCD have been observed in this region. Rotational analysis shows that the ground state is (X) over tilde 3/2((2) Delta), with the substitution structure r(0)(W=C)=1.7366(5) Angstrom and r(0)(C-H)=1.076(5) Angstrom. The excited vibronic levels have been assigned, on the basis of their WCH/WCD isotope shifts and their wavelength resolved fluorescence patterns, to three electronic states, (A) over tilde 3/2((2) Delta), (B) over tilde 1/2((2) Pi), and (C) over tilde 5/2(2 Phi), at 12 090, 13 392, and 14 110 cm(-1), respectively. The wavelength resolved fluorescence spectra have also established the low-lying vibrational levels of the ground state. The ground state bending fundamental lies at 660 cm(-1), while the W-C stretching frequency is 1006 cm(-1); the corresponding frequencies in WCD are 501 cm(-1) and 953 cm(-1), respectively. No evidence for the C-H stretching frequency has been found. Emission has also been observed to a low-lying electronic state, 813 cm(-1) above the (X) over tilde 3/2 state. The pattern of rotationally resolved emission to this state clearly indicates that it is a (4) Sigma(1/2) state. Its bending frequency is 612 cm(-1), and its W-C stretching frequency is 971 cm(-1), indicating a slightly longer bond length than in the (X) over tilde 3/2 state. High resolution cw laser spectra of the (0,0) bands of the two lowest excited electronic states [(A) over tilde 3/2((2) Delta) and (B) over tilde 1/2((2) Pi)] reveal a small splitting of the four principal tungsten isotopes (W-182, W-183, W-184, and W-186) which serves to confirm the presence of tungsten in the carrier. Hyperfine splitting associated with the W-183 nucleus (I = 1/2) has been observed for the (0,0) band of the (A) over tilde 3/2- (X) over tilde 3/2 system, allowing the electron configuration of the ground state to be elucidated. (C) 1996 American Institute of Physics.},
	keywords = {COMPLEXES, FREE-RADICALS, GAS-PHASE, HYPERFINE-STRUCTURE, LASER-INDUCED FLUORESCENCE, SPECTROSCOPY, STATES, SYSTEM, TRANSITION, ZNCH3},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1996VM55400009},
	author = {Barnes, M. and Gillett, D. A. and Merer, A. J. and Metha, G. F.}
}
@article {3843,
	title = {Synthesis, molecular structure, and vibrational spectra of mer-tris(carbonyl)iridium(III)fluorosulfate, mer-Ir(CO)(3)(SO3F)(3)},
	journal = {Inorganic Chemistry},
	volume = {35},
	number = {5},
	year = {1996},
	note = {ISI Document Delivery No.: TY260Times Cited: 21Cited Reference Count: 36},
	month = {Feb},
	pages = {1279-1285},
	type = {Article},
	abstract = {{Addition of carbon monoxide (0.5-2 atm) to iridium(III) fluorosulfate, Ir(SO3F)(3), dissolved in HSO3F over 4 days and at 60 degrees C, results in the quantitative formation of tris(carbonyl)iridium(III) fluorosulfate Ir(CO)(3)(SO3F)(3) Slow evaporation of the solvent produces single crystals of mer-Ir(CO)(3)(SO3F)(3). Crystal structure data for mer-Ir(CO)(3)(SO3F)(3): monoclinic, space group P2(1)/c},
	keywords = {DERIVATIVES, FLUOROSULFATES, GOLD, palladium, SYSTEM, UNDECAFLUORODIANTIMONATE(V)},
	isbn = {0020-1669},
	url = {<Go to ISI>://A1996TY26000029},
	author = {Wang, C. Q. and Lewis, A. R. and Batchelor, R. J. and Einstein, F. W. B. and Willner, H. and Aubke, F.}
}
@article {3510,
	title = {ARTIFICIAL NEURAL-NETWORK AND CLASSICAL LEAST-SQUARES METHODS FOR NEUROTRANSMITTER MIXTURE ANALYSIS},
	journal = {Journal of Neuroscience Methods},
	volume = {56},
	number = {2},
	year = {1995},
	note = {ISI Document Delivery No.: QH949Times Cited: 5Cited Reference Count: 28},
	month = {Feb},
	pages = {155-167},
	type = {Article},
	abstract = {Identification of individual components in biological mixtures can be a difficult problem regardless of the analytical method employed. In this work, Raman spectroscopy was chosen as a prototype analytical method due to its inherent versatility and applicability to aqueous media, making it useful for the study of biological samples. Artificial neural networks (ANNs) and the classical least-squares (CLS) method were used to identify and quantify the Raman spectra of the small-molecule neurotransmitters and mixtures of such molecules. The transfer functions used by a network, as well as the architecture of a network, played an important role in the ability of the network to identify the Raman spectra of individual neurotransmitters and the Raman spectra of neurotransmitter mixtures. Specifically, networks using sigmoid and hyperbolic tangent transfer functions generalized better from the mixtures in the training data set to those in the testing data sets than networks using sine functions. Networks with connections that permit the local processing of inputs generally performed better than other networks on all the testing data sets, and better than the CLS method of curve fitting, on novel spectra of some neurotransmitters. The CLS method was found to perform well on noisy, shifted, and difference spectra.},
	keywords = {ARTIFICIAL NEURAL, BACTERIA, CLASSICAL LEAST-SQUARES ANALYSIS, INVIVO VOLTAMMETRY, MIXTURE ANALYSIS, NETWORK, Raman spectroscopy, REGRESSION, SMALL-MOLECULE NEUROTRANSMITTER, SPECTRA, SYSTEM, UV RESONANCE RAMAN},
	isbn = {0165-0270},
	url = {<Go to ISI>://A1995QH94900006},
	author = {Schulze, H. G. and Greek, L. S. and Gorzalka, B. B. and Bree, A. V. and Blades, M. W. and Turner, R. F. B.}
}
@article {3510,
	title = {ARTIFICIAL NEURAL-NETWORK AND CLASSICAL LEAST-SQUARES METHODS FOR NEUROTRANSMITTER MIXTURE ANALYSIS},
	journal = {Journal of Neuroscience Methods},
	volume = {56},
	number = {2},
	year = {1995},
	note = {ISI Document Delivery No.: QH949Times Cited: 5Cited Reference Count: 28},
	month = {Feb},
	pages = {155-167},
	type = {Article},
	abstract = {Identification of individual components in biological mixtures can be a difficult problem regardless of the analytical method employed. In this work, Raman spectroscopy was chosen as a prototype analytical method due to its inherent versatility and applicability to aqueous media, making it useful for the study of biological samples. Artificial neural networks (ANNs) and the classical least-squares (CLS) method were used to identify and quantify the Raman spectra of the small-molecule neurotransmitters and mixtures of such molecules. The transfer functions used by a network, as well as the architecture of a network, played an important role in the ability of the network to identify the Raman spectra of individual neurotransmitters and the Raman spectra of neurotransmitter mixtures. Specifically, networks using sigmoid and hyperbolic tangent transfer functions generalized better from the mixtures in the training data set to those in the testing data sets than networks using sine functions. Networks with connections that permit the local processing of inputs generally performed better than other networks on all the testing data sets, and better than the CLS method of curve fitting, on novel spectra of some neurotransmitters. The CLS method was found to perform well on noisy, shifted, and difference spectra.},
	keywords = {ARTIFICIAL NEURAL, BACTERIA, CLASSICAL LEAST-SQUARES ANALYSIS, INVIVO VOLTAMMETRY, MIXTURE ANALYSIS, NETWORK, Raman spectroscopy, REGRESSION, SMALL-MOLECULE NEUROTRANSMITTER, SPECTRA, SYSTEM, UV RESONANCE RAMAN},
	isbn = {0165-0270},
	url = {<Go to ISI>://A1995QH94900006},
	author = {Schulze, H. G. and Greek, L. S. and Gorzalka, B. B. and Bree, A. V. and Blades, M. W. and Turner, R. F. B.}
}
@article {3238,
	title = {ELECTRONIC-TRANSITIONS OF COBALT CARBIDE, COC, NEAR 750 NM - A GOOD EXAMPLE OF CASE (B(BETA-S)) HYPERFINE COUPLING},
	journal = {Journal of Chemical Physics},
	volume = {103},
	number = {19},
	year = {1995},
	note = {ISI Document Delivery No.: TE364Times Cited: 56Cited Reference Count: 48},
	month = {Nov},
	pages = {8360-8371},
	type = {Article},
	abstract = {The laser induced fluorescence spectrum of jet-cooled CoC near 750 nm has been measured at high resolution following the reaction of laser-ablated cobalt atoms with methane. The X(2) Sigma(+) ground state of CoC is an unusually good example of Hund{\textquoteright}s case (b(beta S)) coupling. Since Co has a nuclear spin I=7/2, each rotational level is split by the Fermi contact interaction into G=3 and G=4 components, where G=I+S; the splitting for N=0 is more than 0.5 cm(-1). The X(2) Sigma(+) state begins to uncouple toward case (b(beta J)) with increasing rotation. Transitions to various (II)-I-2 excited states occur in the region 13 000-14 500 cm(-1); the most prominent of these (for which high resolution spectra have been recorded) lie at 13 079 cm(-1) ((II3/2)-I-2) and 13 343 cm(-1) ((II1/2)-I-2). The (b(beta S)) coupling in the ground state produces some unexpected hyperfine intensity patterns, which have been studied in detail. A very low-lying (2) Delta(i) state, whose Omega=5/2 and Omega=3/2 components lie at 221 and 1173 cm(-1), has been identified. Laser excitation of the (II3/2)-I-2-(2) Delta(5/2) transition has been observed by monitoring the strong (II3/2)-I-2-X(2) Sigma(+) emission, which has allowed the (2) Delta(5/2) state to be characterized at high resolution. A total of 879 rotational-hyperfine transitions between the various (II1/2)-I-2, (II3/2)-I-2, (2) Delta(5/2), and (2) Sigma(+) states have been assigned and fitted. Matrix elements for a (2) Sigma(+) state in case (bps) coupling are listed. (C) 1995 American Institute of Physics.},
	keywords = {GROUND-STATE, laser spectroscopy, MNO, MOLECULES, O, O BAND, RESONANCE, SPECTRUM, SYSTEM, VC},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1995TE36400006},
	author = {Barnes, M. and Merer, A. J. and Metha, G. F.}
}
@article {3233,
	title = {A GENERALIZED GAUSSIAN OVERLAP MODEL FOR FLUIDS OF ANISOTROPIC PARTICLES},
	journal = {Journal of Chemical Physics},
	volume = {102},
	number = {22},
	year = {1995},
	note = {ISI Document Delivery No.: RC468Times Cited: 18Cited Reference Count: 18},
	month = {Jun},
	pages = {9040-9047},
	type = {Article},
	keywords = {COMPUTER-SIMULATION, GAY-BERNE MODEL, LIQUID-CRYSTAL, PHASE-DIAGRAM, SYSTEM},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1995RC46800036},
	author = {Ayton, G. and Patey, G. N.}
}
@article {3237,
	title = {LASER-INDUCED FLUORESCENCE OF GASEOUS VANADIUM METHYLIDYNE, VCH - A TRIATOMIC ORGANOMETALLIC MOLECULE},
	journal = {Journal of the American Chemical Society},
	volume = {117},
	number = {7},
	year = {1995},
	note = {ISI Document Delivery No.: QH930Times Cited: 18Cited Reference Count: 14},
	month = {Feb},
	pages = {2096-2097},
	type = {Note},
	keywords = {COMPLEXES, CUOH, SPECTROSCOPY, SYSTEM, TRANSITION-METAL},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1995QH93000025},
	author = {Barnes, M. and Hajigeorgiou, P. G. and Kasrai, R. and Merer, A. J. and Metha, G. F.}
}
@article {3239,
	title = {ROTATIONAL AND HYPERFINE ANALYSIS OF THE A{\textquoteright}(3)PHI(4)-X(3)PHI(4) TRANSITIONS OF COH AND COD},
	journal = {Journal of Molecular Spectroscopy},
	volume = {173},
	number = {1},
	year = {1995},
	note = {ISI Document Delivery No.: RU652Times Cited: 14Cited Reference Count: 23},
	month = {Sep},
	pages = {100-112},
	type = {Article},
	abstract = {Three new bands of CoH and five new bands of CoD have been observed using laser excitation in the visible and near-infrared, following reaction of Co atoms with H-2 or D-2 under supersonic jet-cooled conditions. All the bands reported here, together with two reported previously by Varberg et al. (J. Mol. Spectrosc. 138, 630-637, 1989), are shown to belong to a single electronic transition with an origin near 12 400 cm(-1), here designated A{\textquoteright}(3) Phi(4)-X(3) Phi(4). High-resolution spectra of the (0, 0) bands of both CoH and CoD reveal extensive hyperfine structure associated with the Co-59 nucleus, which shows that the electron configuration of the A{\textquoteright}(3) Phi state is (7 sigma)(1)(3d delta)(3)(3d pi)(3)(8 sigma)(1). Wavelength-resolved fluorescence from one of the CoD bands has given the Omega = 4-3 spin-orbit interval for the X(3) Phi state as 729 cm(-1) and confirmed the presence of a low-lying Omega = 3 electronic state similar to 2444 cm(-1) above the ground state. (C) 1995 Academic Press, Inc.},
	keywords = {GROUND-STATE, laser spectroscopy, MOLECULES, SOLAR IDENTIFICATION, SPECTRUM, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1995RU65200012},
	author = {Barnes, M. and Merer, A. J. and Metha, G. F.}
}
@article {3472,
	title = {SYNTHESIS AND CHARACTERIZATION OF (OCTAETHYLPORPHYRINATO)RUTHENIUM(II) AND (OCTAETHYLPORPHYRINATO)RUTHENIUM(III) COMPLEXES WITH THIOETHER, SULFOXIDE, AND BENZOATE AXIAL LIGANDS},
	journal = {Inorganic Chemistry},
	volume = {34},
	number = {13},
	year = {1995},
	note = {ISI Document Delivery No.: RF414Times Cited: 16Cited Reference Count: 58},
	month = {Jun},
	pages = {3477-3484},
	type = {Article},
	abstract = {{Complexes in the series Ru(OEP)(RR{\textquoteright}S)(2) and Ru(OEP)(RR{\textquoteright}SO)(2) (where OEP = the dianion of 2,3,7,8,12,13,17,18-octaethylporphyrin},
	keywords = {AEROBIC EPOXIDATION, CHEMISTRY, CRYSTAL, ELECTRON-TRANSFER, EXTRAPLANAR LIGANDS, OXIDATION, REACTIVITY, redox properties, RUTHENIUM PORPHYRIN DIMERS, SYSTEM},
	isbn = {0020-1669},
	url = {<Go to ISI>://A1995RF41400016},
	author = {Pacheco, A. and James, Brian R. and Rettig, S. J.}
}
@article {2946,
	title = {HYPERFINE-STRUCTURE IN HIGH-SPIN MULTIPLICITY ELECTRONIC STATES - ANALYSIS OF THE B(4)PI-X(4)SIGMA(-) TRANSITION OF GASEOUS NBO},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {9},
	year = {1994},
	note = {ISI Document Delivery No.: NH846Times Cited: 38Cited Reference Count: 57},
	month = {May},
	pages = {6240-6262},
	type = {Article},
	abstract = {The (0,0) band of the B (II)-I-4-X (4) Sigma(-) transition of NbO, near 6600 Angstrom, has been analyzed from spectra taken at sub-Doppler resolution. The transition is notable for the great width of its Nb nuclear hyperfine structure, which is caused principally by the unpaired 5s sigma electron in the ground state interacting with the large magnetic moment of the(41)(93) Nb nucleus (1=9/2). A fit to the ground-state combination differences, including four very precise microwave lines measured by Suenram et al. [J. Mol. Spectrosc. 148, 114 (1991)], has given a comprehensive set of rotational, spin, and hyperfine parameters. Prominent among these are the third-order spin-orbit distortions of the spin-rotation interaction and the Fermi contact interaction, which are large and well. determined, reflecting different degrees of spin-orbit contamination of the the (4) Sigma(1/2) and (4) Sigma(3/2) components of the ground state. The delta(2) pi B (II)-I-4 state was hard to fit, for a number of reasons. First, its spin-orbit structure is asymmetric, because of strong perturbations by a (II)-I-2 state which has been identified in this work, from among the various weak bands in the NbO spectrum near 7000 Angstrom; the result is that many high order centrifugal distortion terms are needed in an effective Hamiltonian model for the rotation. Second, the hyperfine structure is perturbed, not only by this (II)-I-2 state, but by distant Sigma and Delta states at higher energy. The delta(2) sigma* C (4) Sigma(-) State at 21 350 cm(-1) appears to be one of these. The distant states generate large apparent nuclear spin-rotation interactions, both within and between the Lambda components of the II state, as a result of cross terms between matrix elements of the operators -2BJ.L and aI.L. Similar cross terms arising from the operators AL.S and aI.L produce corrections to the Fermi contact matrix elements and are responsible for the unexpected negative sign of the magnetic hyperfine parameter d. The {\textquoteright}{\textquoteright}off-diagonal{\textquoteright}{\textquoteright} quadrupole parameter e(2)Qq(2) is very large, and causes some of the higher J line shapes of the B-X system to be noticeably asymmetric at Doppler limited resolution; its value is consistent with the electron configuration of the B (II)-I-4 state being delta(2) pi.},
	keywords = {EMISSION-SPECTRUM, FOURIER-TRANSFORM SPECTROSCOPY, LASER, LINEAR MOLECULES, ORBIT DISTORTION, PARAMETERS, QUARTET, ROTATIONAL STRUCTURE, SPECTROSCOPY, SYSTEM, VO},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994NH84600016},
	author = {Adam, A. G. and Azuma, Y. and Barry, J. A. and Merer, A. J. and Sassenberg, U. and Schroder, J. O. and Cheval, G. and Femenias, J. L.}
}
@article {2958,
	title = {LASER SPECTROSCOPY OF THE LOW-LYING ELECTRONIC STATES OF NBN - ELECTRON-SPIN AND HYPERFINE EFFECTS IN THE STATES FROM THE CONFIGURATIONS SIGMA-DELTA AND DELTA-PI},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {6},
	year = {1994},
	note = {ISI Document Delivery No.: NA918Times Cited: 9Cited Reference Count: 28},
	month = {Mar},
	pages = {4138-4155},
	type = {Article},
	abstract = {Rotational and hyperfine analyses have been carried out for the (0,0) bands of the (CII)-I-3-X(3) Delta, e(1)II-X(3) Delta, and f(1) Phi-a(1) Delta transitions of gaseous NbN from laser excitation spectra taken at sub-Doppler resolution. The delta pi (CII)-I-3 and e(1)II states lie only 102 cm(-1) apart in zero order but the spin-orbit matrix element between them, which is the sum of the spin-orbit constants for the delta and pi electrons, is 698 cm(-1); as a result the (II1)-I-3 spin component lies below both the (II0)-I-3 and (II2)-I-3 components, and its hyperfine structure is highly irregular. This irregularity is an extreme example of how cross terms between the spin-orbit interaction and the Fermi contact hyperfine operator alter the apparent value of the hyperfine a constant, the coefficient of I.L in the magnetic hyperfine Hamiltonian. Molecular parameters for the (CII)-I-3 and e(1)II states have been obtained from a combined fit to the two of them. Including data fot the B-3 Phi state recorded earlier [Azuma et al., J. Chem. Phys. 91, 1 (1989)], detailed information is now available for all six of the electronic states from the electron configurations sigma delta and delta pi. It has been verified that the spin-orbit/Fermi contact cross terms cause roughly equal and opposite shifts in the hyperfine a constants for the singlet states and the Sigma=0 components of the triplet states. After allowing for this effect, it has been possible to interpret the hyperfine a constants in terms of one-electron parameters for the delta and pi electrons, in similar fashion to spin-orbit parameters. Wavelength resolved fluorescence, following selective laser excitation of the (CII)-I-3, e(1)II, and f(1) Phi states, has led to the discovery of three new electronic states, delta(2) c(1) Gamma,delta(2) A(3) Sigma-, and sigma(2) b(1) Sigma(+), besides giving the absolute position of a(1) Delta. Strong configuration interaction mixing is found to occur between the sigma(2) b(1) Sigma(+) and delta(2) d(1) Sigma(+) states. The low-lying electronic states of NbN are now well understood.},
	keywords = {MOLECULES, SYSTEM},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994NA91800011},
	author = {Azuma, Y. and Huang, G. and Lyne, M. P. J. and Merer, A. J. and Srdanov, V. I.}
}
@article {2987,
	title = {ROTATIONAL STRUCTURE AND PERTURBATIONS IN THE BETA-4-PI-CHI-4-SIGMA- (1, 0) BAND OF VO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {163},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: MW279Times Cited: 21Cited Reference Count: 25},
	month = {Feb},
	pages = {443-458},
	type = {Article},
	keywords = {CRO, FOURIER-TRANSFORM SPECTROSCOPY, laser spectroscopy, MOLECULES, PARAMETERS, STATES, SYSTEM, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1994MW27900012},
	author = {Cheung, A. S. C. and Hajigeorgiou, P. G. and Huang, G. and Huang, S. Z. and Merer, A. J.}
}
@article {2761,
	title = {HYPERFINE AND SPIN-ORBIT STRUCTURE OF THE (4)DELTA(I) GROUND-STATE OF COO},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {9},
	year = {1993},
	note = {ISI Document Delivery No.: MD981Times Cited: 22Cited Reference Count: 24},
	month = {Nov},
	pages = {6336-6344},
	type = {Article},
	abstract = {{A detailed examination of the structure of the 4DELTA(i) ground state of gaseous CoO has been carried out from analysis of the electronic spectrum near 6300 angstrom, using intracavity dye laser and wavelength-resolved fluorescence methods. The intracavity experiments have given the details of the hyperfine structure of the two lowest spin-orbit components at sub-Doppler resolution, permitting the hyperfine parameters},
	keywords = {BAND, FEO, laser spectroscopy, METAL-OXIDES, NIO, PARAMETERS, SYSTEM, VO},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993MD98100012},
	author = {Clouthier, D. J. and Huang, G. and Merer, A. J. and Friedmanhill, E. J.}
}
@article {2713,
	title = {ROTATIONAL ANALYSIS OF THE A{\textquoteright}(5)DELTA-X(5)PI TRANSITION OF CRO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {160},
	number = {1},
	year = {1993},
	note = {ISI Document Delivery No.: LJ188Times Cited: 17Cited Reference Count: 25},
	month = {Jul},
	pages = {289-310},
	type = {Article},
	keywords = {0, 0 BAND, DOUBLING PARAMETERS, ELECTRONIC STATES, FOURIER-TRANSFORM SPECTROSCOPY, HIGHER MULTIPLICITY, METAL OXIDES, MOLECULES, MOO, QUARTET, SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1993LJ18800024},
	author = {Barnes, M. and Hajigeorgiou, P. G. and Merer, A. J.}
}
@article {7266,
	title = {INTRACAVITY LASER SPECTROSCOPY OF VO - HYPERFINE PARAMETERS AND ELECTRON CONFIGURATION OF THE B4-PI STATE},
	journal = {Journal of Molecular Spectroscopy},
	volume = {153},
	number = {1-2},
	year = {1992},
	note = {ISI Document Delivery No.: HT478Times Cited: 17Cited Reference Count: 22},
	month = {May-Jun},
	pages = {32-40},
	type = {Article},
	keywords = {FLUORESCENCE, MOLECULES, SYSTEM, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1992HT47800004},
	author = {Huang, G. I. and Merer, A. J. and Clouthier, D. J.}
}
@article {7383,
	title = {RATE CONSTANTS FOR THE ETCHING OF GALLIUM-ARSENIDE BY MOLECULAR-IODINE},
	journal = {Journal of Vacuum Science \& Technology B},
	volume = {10},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: HN270Times Cited: 7Cited Reference Count: 19},
	month = {Mar-Apr},
	pages = {668-674},
	type = {Article},
	abstract = {The etching of the (100) face of gallium arsenide with molecular iodine has been studied at I2 pressures between 0.10 and 1.25 Torr and in the temperature range from 270 to 330-degrees-C. GaAs was found to be etched continuously at rates between 0.05 and 1.70-mu-m min-1 under these conditions. Although the etch rate appears to be first order with respect to I2 at pressures below 0.3 Torr, the order decreased at higher pressures. The data was analyzed in terms of two mechanisms, which have been proposed for the etching of semiconductors by halogen molecules. These are the "reversible dissociative adsorption" (RDA) mechanism, and the "surface site saturation" (SSS) mechanism. In the RDA mechanism the dissociative adsorption, which explains the nonlinear pressure dependence, occurs irreversibly at low pressure giving rise to first order kinetics with a first order rate constant (k1) which can be expressed in the following Arrhenius form: k1 = 10(4.7 +/- 0.2) mu-min-1 Torr-1 exp[ - (55 +/- 2) kJ mol - 1/RT]. At higher pressures, the dependence on I2 changes to half order and the composite half order rate constant (k1/2) can be represented by the equation: k1/2 = 10(6.5 +/- 0.9) mu-m-min-1 Torr-1/2 exp[ - (69 +/- 10) kJ mol-1/RT]. On the other hand, the SSS mechanism involves the reversible physisorption of I2 on the GaAs surface (governed by an equilibrium constant K) followed by a rate controlling reaction of this physisorbed species leads to products (governed by the rate constant k4). The values obtained for these two constants are: K = 10(-4.8 +/- 0.7) Torr-1 exp[ + ( 49 +/- 7) kJ mol-1/RT], and k4 = 10(9.2 +/- 0.4) mu-m-min-1 exp[ - (96 +/- 5) kJ mol-1/RT]. The etching is isotropic, and the major products are GaI3 and AsI3.},
	keywords = {ALGAAS, CHLORINE, CL2, GaAs, SYSTEM},
	isbn = {1071-1023},
	url = {<Go to ISI>://A1992HN27000018},
	author = {Wong, K. C. and Ogryzlo, E. A.}
}
@article {6962,
	title = {POWER, FLOW-RATE, AND PRESSURE EFFECTS IN A JET-ASSISTED GLOW-DISCHARGE SOURCE},
	journal = {Spectrochimica Acta Part B-Atomic Spectroscopy},
	volume = {46},
	number = {4},
	year = {1991},
	note = {ISI Document Delivery No.: FE622Times Cited: 21Cited Reference Count: 19},
	pages = {501-515},
	type = {Article},
	abstract = {Effects brought about by power and flow rate through the jets and pressure changes in a jet-assisted glow discharge source were studied. An increase in the power dissipated in the glow discharge increased both the sample sputtering and excitation of sputtered species in the negative glow. Although the application of the jets resulted in a similar increase in sample atomization, no uniform enhancement of emission intensities was observed. Instead, some emission lines were reduced in intensity, typically those characterized by relatively large absorption coefficients; while others were enhanced, those possessing relatively small absorption coefficients. This behaviour is suggestive of a self-absorption problem. Consequently, the most sensitive lines typically used for atomic emission analyses in glow discharges, resonance lines with large absorption coefficients, suffered from profound self-absorption with the application of the jets.},
	keywords = {PLASMA, SPECTROMETRY, SPECTROSCOPY, SYSTEM},
	isbn = {0584-8547},
	url = {<Go to ISI>://A1991FE62200005},
	author = {Banks, P. R. and Blades, M. W.}
}
@article {7050,
	title = {STRUCTURAL STUDIES OF ORGANOBORON COMPOUNDS .48. 1,4-DIPHENYL-3,3-6,6-BIS(TETRAMETHYLENE)-2,5,7-TRIOXA-3,6-DIAZONIA-1,4-D IBORATABICYCLO(2.2.1)HEPTANE},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {69},
	number = {8},
	year = {1991},
	note = {ISI Document Delivery No.: GC235Times Cited: 7Cited Reference Count: 33},
	month = {Aug},
	pages = {1222-1226},
	type = {Article},
	abstract = {{The reaction of N-hydroxypyrrolidine with either oxybis(diphenylborane) or phenylboronic acid gives 1,4-diphenyl-3,3:6,6-bis(tetramethylene)-2,5,7-trioxa-3,6-diazoniia-1,4- diboratabicyclo[2.2.1]heptane in moderate yield. Crystals of the product are orthorhombic},
	keywords = {2, 4-DIBORATABICYCLO(2.2.1)HEPTANE RING, 5, 6-DIAZONIA-1, 7-TRIOXA-3, crystal structure, CRYSTAL-STRUCTURE, MOLECULAR-STRUCTURE, organoboron compound, SYSTEM, X-RAY-DIFFRACTION},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1991GC23500008},
	author = {Kliegel, W. and Riebe, U. and Rettig, S. J. and Trotter, J.}
}
@article {6996,
	title = {VERATRYL ALCOHOL AS A MEDIATOR IN LIGNIN MODEL-COMPOUND BIODEGRADATION},
	journal = {Holzforschung},
	volume = {45},
	number = {1},
	year = {1991},
	note = {ISI Document Delivery No.: FC210Times Cited: 7Cited Reference Count: 22},
	month = {Feb},
	pages = {31-35},
	type = {Article},
	abstract = {Veratryl alcohol and 1,4-dimethoxybenzene were found to be ineffective mediators for the oxidation of anisyl alcohol by the lignin peroxidase model, iron meso-tetra(2,6-dichloro-3-sulfonatophenyl)porphyrin chloride (TDCSPPFeCl). However, veratryl alcohol can mediate the electrochemical oxidation of the polymeric dye Poly B-411. The TDCSPPFeCl catalyzed reactions of lignin model compounds were found to be dependent on pH and the solvent being used. The importance of the mediating role of veratryl alcohol in lignin degradation is discussed.},
	keywords = {APPROACH, BASIDIOMYCETE PHANEROCHAETE-CHRYSOSPORIUM, BIOMIMETIC, BURDS, C BOND-CLEAVAGE, DEGRADATION, ENZYME, IRON PORPHYRINS, LIGNIN, MECHANISM, MEDIATOR, OXIDATION, PEROXIDASE, PORPHYRIN, SYSTEM, VERATRYL ALCOHOL},
	isbn = {0018-3830},
	url = {<Go to ISI>://A1991FC21000006},
	author = {Cui, F. T. and Dolphin, D.}
}
