@article {2623,
	title = {Stretch-bend combination polyads in the (A)over-tilde(1)A(u) state of acetylene, C2H2},
	journal = {Journal of Molecular Spectroscopy},
	volume = {256},
	number = {2},
	year = {2009},
	note = {ISI Document Delivery No.: 478PDTimes Cited: 0Cited Reference Count: 55Steeves, Adam H. Bechtel, Hans A. Merer, Anthony J. Yamakita, Nami Tsuchiya, Soji Field, Robert W.},
	month = {Aug},
	pages = {256-278},
	type = {Article},
	abstract = {Rotational analyses are reported for a number of newly-discovered vibrational levels of the SI-trans; ((A) over tilde (1)A(u)) state of C2H2. These levels are combinations where the Franck-Condon active nu(2){\textquoteright} and nu(3){\textquoteright} vibrational modes are excited together with the low-lying bending vibrations, nu(4){\textquoteright} and nu(6){\textquoteright}. The structures of the bands are complicated by strong a- and b-axis Coriolis coupling, as well as Darling-Dennison resonance for those bands that involve overtones of the bending vibrations. The most interesting result is the strong anharmonicity in the combinations of nu(3){\textquoteright} (trans bend, a(g)) and nu(6){\textquoteright} (in-plane cis bend, b(u)). This anharmonicity presumably represents the approach of the molecule to the trans-cis isomerization barrier, where ab initio results have predicted the transition state to be half-linear, corresponding to simultaneous excitation of nu(3){\textquoteright} and nu(6){\textquoteright}. The anharmonicity also causes difficulty in the least squares fitting of some of the polyads, because the simple model of Coriolis coupling and Darling-Dennison resonance starts to break down. The effective Darling-Dennison parameter, K-4466, is found to increase rapidly with excitation of nu(3){\textquoteright}, while many small centrifugal distortion terms have had to be included in the least squares fits in order to reproduce the rotational structure correctly. Fermi resonances become important where the K-structures of different polyads overlap, as happens with the 2(1)3(1)B(1) and 3(1)B(3) polyads (B = 4 or 6). The aim of this work is to establish the detailed vibrational level structure of the S-1-trans state in order to search for possible S-1-cis ((1)A(2)) levels. This work, along with results from other workers, identifies at least one K sub-level of every single vibrational level expected up to a vibrational energy of 3500 cm(-1). (C) 2009 Elsevier Inc. All rights reserved.},
	keywords = {1AU, AB-INITIO MO, acetylene, Cis-trans isomerization, DISPERSED, DOUBLE-RESONANCE SPECTROSCOPY, FLUORESCENCE, FLUORESCENCE-SPECTRUM, INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION, LASER-INDUCED, PARTIAL DEPERTURBATION, POLYATOMIC-MOLECULES, ROTATION CONSTANTS, STATE, vibration-rotation analysis, X BAND SYSTEM},
	isbn = {0022-2852},
	url = {<Go to ISI>://000268599300013},
	author = {Steeves, A. H. and Bechtel, H. A. and Merer, A. J. and Yamakita, N. and Tsuchiya, S. and Field, R. W.}
}
@article {2264,
	title = {The hand of the filamentous bacteriophage helix},
	journal = {European Biophysics Journal with Biophysics Letters},
	volume = {37},
	number = {6},
	year = {2008},
	note = {ISI Document Delivery No.: 314QDTimes Cited: 1Cited Reference Count: 30Straus, S. K. Scott, W. R. P. Marvin, D. A.},
	month = {Jul},
	pages = {1077-1082},
	type = {Article},
	abstract = {Filamentous bacteriophage (Inovirus) is a widely studied model system in molecular biophysics. The structure of the virion has been analysed by various methods, but the methods have seldom questioned the hand of the virion helix. The hand of the helix relating the protein subunits in the class II virus strain Pf1 was chosen by calculating an electron-density distribution from X-ray fibre diffraction data, using a maximum-entropy method, but to our knowledge this method has not been used for a similar purpose in any other system. Moreover, this same hand was extended only by analogy, with no direct analysis of the corresponding data, to the class I virus strain Ff (fd, f1, M13), which has a different helix symmetry. Here we use published solid-state NMR data to confirm the validity of the hand of Pf1 chosen by the maximum-entropy method, and to confirm the extension to Ff.},
	keywords = {ALPHA-HELIX, COAT PROTEIN, ELECTRON-DENSITY, FIBER DIFFRACTION DATA, fibre diffraction, MEMBRANE-PROTEIN, models, MOLECULAR-STRUCTURE DETERMINATION, NMR-SPECTROSCOPY, PF1, RESOLUTION, SOLID-STATE NMR, STATE, XPLOR-NIH},
	isbn = {0175-7571},
	url = {<Go to ISI>://000256823000038},
	author = {Straus, S. K. and Scott, W. R. P. and Marvin, D. A.}
}
@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 {1402,
	title = {The first report of a muoniated free radical formed from reaction of Mu with Br-2},
	journal = {Physica B-Condensed Matter},
	volume = {374},
	year = {2006},
	note = {ISI Document Delivery No.: 027BNTimes Cited: 2Cited Reference Count: 1410th International Conference on Muon Spin Rotation, Relaxation and ResonanceAUG 08-12, 2005Oxford, ENGLANDHamamatsi Photon, ISIS Fac, Triumf Fac},
	month = {Mar},
	pages = {303-306},
	type = {Proceedings Paper},
	abstract = {In this paper, we report preliminary data for the first direct evidence of a free radical formed from Mu reactivity with Br-2 ill the gas phase, in N-2 moderator at a total pressure of 3 bar. A new experimental setup and target vessel for mu SR studies of reactive Compounds, such as the halogens and hydrogen halides, suitable as well for RF measurements, is described. The experimental data, obtained from a longitudinal field repolarization curve, yields a hfc of 1770 MHz. We tentatively identify this as the [BrMuBr] radical, a non-conventional bond system, arising from the combination of a van der Waals interaction and dynamics on a repulsive surface. Studies of the dynamics and hfcs of possible radicals, which in principal could form, are also outlined here. (c) 2005 Elsevier B.V. All rights reserved.},
	keywords = {chemical dynamics, ENERGY, GASES, halogen, IHI, isotope effect, muonium, STATE},
	isbn = {0921-4526},
	url = {<Go to ISI>://000236388800078},
	author = {Ghandi, K. and Cottrell, S. P. and Fleming, Donald G. and Johnson, C.}
}
@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 {1604,
	title = {Novel method of measuring heat capacity of supercritical fluid using Peltier elements},
	journal = {Japanese Journal of Applied Physics Part 1-Regular Papers Brief Communications \& Review Papers},
	volume = {45},
	number = {1A},
	year = {2006},
	note = {ISI Document Delivery No.: 009YXTimes Cited: 2Cited Reference Count: 9},
	month = {Jan},
	pages = {269-273},
	type = {Article},
	abstract = {We present a simple and convenient method of measuring the heat capacity of a fluid sample at a high pressure. A heat-flux-type calorimeter containing a sample cell with a thin wall and small holes is placed in a high-pressure vessel filled with the fluid sample itself. A thermoelectric module serves as the heat pump and heat flow sensor by taking advantage of the Peltier and Seebeck effects, respectively. To obtain the total heat transferred from the measured raw data, we employ a new estimation technique with a least-squares method. The performance of the method is examined by the measurement of supercritical CO2. The temperature increase necessary for the measurement can be suppressed to less than 40 mK; such a small amount scarcely disturbs the state for a temperature- sensitive sample. This method is suitable for determining the heat capacities of supercritical fluids including the states relatively close to a critical point.},
	keywords = {CALORIMETER, CARBON-DIOXIDE, CO2, heat capacity, HIGH-PRESSURES, Peltier element, POINT, STATE, supercritical fluid, THERMAL-CONDUCTIVITY MEASUREMENT},
	isbn = {0021-4922},
	url = {<Go to ISI>://000235150700062},
	author = {Tozaki, K. and Kido, Y. and Koga,Yoshikata and Nishikawa, K.}
}
@article {1628,
	title = {On-line content uniformity determination of tablets using low-resolution Raman spectroscopy},
	journal = {Applied Spectroscopy},
	volume = {60},
	number = {6},
	year = {2006},
	note = {ISI Document Delivery No.: 055FDTimes Cited: 5Cited Reference Count: 31},
	month = {Jun},
	pages = {672-681},
	type = {Article},
	abstract = {Analytical techniques for rapid and nondestructive content uniformity determination of pharmaceutical solid dosage forms have been studied for several years in an effort to replace the traditional wet chemistry procedures, which are labor intensive and time consuming. Both Raman spectroscopy and near-infrared spectroscopy have been used for this purpose, and predictability errors are approaching those of the traditional techniques. In this study, a low-resolution Raman spectrometer was utilized to demonstrate the feasibility of both rapid at-line and on-line determination of tablet content uniformity. Additionally, sampling statistics were reviewed in an effort to determine how many tablets should be assayed for specific. batch sizes. A good correlation was observed between assay values determined by high-performance liquid chromatography and Raman analysis. Due. to rapid acquisition times for the Raman data, it was possible to analyze far more samples than with wet chemistry methods, leading to a better statistical description of variation within the batch. For at-line experiments, the sampling volume was increased by rotating the laser beam during the acquisition period. For the on-line experiments, the sampling volume was increased by sampling from a stream of tablets moving underneath the Raman probe on a conveyor system. Finally, an approach is proposed for monitoring content uniformity immediately following the compaction process. In conclusion, Raman spectroscopy has potential as a rapid, nondestructive technique for at- or on-line determination of tablet content uniformity.},
	keywords = {ACTIVE-SUBSTANCE, central limit theorem, COATED TABLETS, content uniformity, FORMS, INTACT TABLETS, NEAR-INFRARED SPECTROSCOPY, PARACETAMOL, process analytical technology, Raman spectroscopy, sampling, SPECTRA, STATE, TRANSMITTANCE SPECTROSCOPY},
	isbn = {0003-7028},
	url = {<Go to ISI>://000238434500013},
	author = {Wikstrom, H. and Romero-Torres, S. and Wongweragiat, S. and Williams, J. A. S. and Grant, E. R. and Taylor, L. S.}
}
@article {1289,
	title = {Arylfluoroborates and alkylfluorosilicates as potential PET imaging agents: High-yielding aqueous biomolecular F-18-labeling},
	journal = {Journal of the American Chemical Society},
	volume = {127},
	number = {38},
	year = {2005},
	note = {ISI Document Delivery No.: 968OCTimes Cited: 29Cited Reference Count: 32},
	month = {Sep},
	pages = {13094-13095},
	type = {Article},
	keywords = {AVIDIN, biotin, BORONIC ACIDS, CROSS-COUPLING REACTIONS, F-18, FRAGMENT, MICROPET, MONOCLONAL-ANTIBODY, PROTEIN, STATE},
	isbn = {0002-7863},
	url = {<Go to ISI>://000232170800007},
	author = {Ting, R. and Adam,Michael J. and Ruth, T. J. and Perrin,David M.}
}
@article {1289,
	title = {Arylfluoroborates and alkylfluorosilicates as potential PET imaging agents: High-yielding aqueous biomolecular F-18-labeling},
	journal = {Journal of the American Chemical Society},
	volume = {127},
	number = {38},
	year = {2005},
	note = {ISI Document Delivery No.: 968OCTimes Cited: 29Cited Reference Count: 32},
	month = {Sep},
	pages = {13094-13095},
	type = {Article},
	keywords = {AVIDIN, biotin, BORONIC ACIDS, CROSS-COUPLING REACTIONS, F-18, FRAGMENT, MICROPET, MONOCLONAL-ANTIBODY, PROTEIN, STATE},
	isbn = {0002-7863},
	url = {<Go to ISI>://000232170800007},
	author = {Ting, R. and Adam,Michael J. and Ruth, T. J. and Perrin,David M.}
}
@article {1302,
	title = {Photochemistry of 1-isopropylcycloalkyl aryl ketones: Ring size effects, medium effects, and asymmetric induction},
	journal = {Organic Letters},
	volume = {7},
	number = {7},
	year = {2005},
	note = {ISI Document Delivery No.: 910HITimes Cited: 16Cited Reference Count: 15},
	month = {Mar},
	pages = {1315-1318},
	type = {Article},
	abstract = {The n = 0, 1, and 2 ketones shown above undergo Yang photocyclization in solution, but only the n = 1 analogues react this way in the solid state. Based on X-ray crystallography, these differences in reactivity are attributed to an unusually large distance for 1,4-hydroxybiradical cyclization in the solid state for the n = 0 and 2 ring systems, which leads to predominant reverse hydrogen transfer (rht). Enantiomeric excesses of up to 99\% can be achieved in the case of the n = 1 system through the use of the solid-state ionic chiral auxiliary method of asymmetric synthesis.},
	keywords = {ABSTRACTION, BEHAVIOR, PHENYL KETONES, SALTS, STATE},
	isbn = {1523-7060},
	url = {<Go to ISI>://000227921200030},
	author = {Xia, W. J. and Scheffer, J. R. and Botoshansky, M. and Kaftory, M.}
}
@article {818,
	title = {The crystal structure of a simple enol formed in a single-crystal-to-single-crystal enolene rearrangement},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {82},
	number = {2},
	year = {2004},
	note = {ISI Document Delivery No.: 802BHTimes Cited: 1Cited Reference Count: 15},
	month = {Feb},
	pages = {301-305},
	type = {Article},
	abstract = {When crystals of 9-tricyclo[4.4.1.0]undecalyl-4-(carbomethoxy)phenyl ketone (1) were allowed to stand in the dark for extended periods of time at room temperature, the compound underwent a thermal reaction - the enolene rearrangement - to afford enol 2. The crystals remained transparent and appeared unchanged in shape as the reaction proceeded. X-ray diffraction data were collected on single crystals containing 17\%, 25\%, 66\%, and 100\% of the enol. The crystal structure of a simple enol was obtained via this novel single-crystal-to-single-crystal enolene rearrangement.},
	keywords = {enol, enolene, HYDROGEN-ATOM ABSTRACTION, PHOTODIMERIZATION, REARRANGEMENT, single crystal, STATE, thermal},
	isbn = {0008-4042},
	url = {<Go to ISI>://000220138500026},
	author = {Chong, K. C. W. and Patrick, B. O. and Scheffer, J. R.}
}
@article {956,
	title = {Deliquescence and crystallization of ammonium sulfate particles internally mixed with water-soluble organic compounds},
	journal = {Journal of Physical Chemistry A},
	volume = {108},
	number = {52},
	year = {2004},
	note = {ISI Document Delivery No.: 882FPTimes Cited: 38Cited Reference Count: 66},
	month = {Dec},
	pages = {11600-11608},
	type = {Article},
	abstract = {The deliquescence and crystallization of ammonium sulfate particles internally mixed with water-soluble organic material have been studied, restricted to an organic mass fraction of less than 0.6. The organic species used were malonic acid, glycerol, levoglucosan (1,6-anhydro-beta-D-glucopyranose), and Suwannee River fulvic acid. Our deliquescence results for systems with malonic acid and fulvic acid are in agreement with existing literature values. Glycerol deliquescence results are slightly lower than previous measurements. The levoglucosan results are the first of this kind. Total deliquescence relative humidities for the different systems are the same within the uncertainty of the measurements when the organic mole fraction is less than approximately 0.35. At an organic mole fraction of 0.6, the maximum deviation of total deliquescence relative humidities between the systems is approximately 10\% relative humidity. We show that thermodynamic calculations based on a simplified version of a model recently proposed by Clegg et al. (J. Aerosol Sci. 2001, 32, 713)1 are in agreement with measured values of deliquescence relative humidity up to an organic mole fraction of approximately 0.4 for most of the systems studied. The crystallization relative humidity (CRH) of mixed systems of ammonium sulfate with malonic acid, glycerol, or levoglucosan decreases significantly from the CRH of pure ammonium sulfate when the organic mole fraction is greater than about 0.25. This is in contrast to our previous study with glutaric acid where CRH remained close to CRH of pure ammonium sulfate up to a glutaric acid mole fraction of 0.4. CRH values are shown to vary depending on the type of,organic present. In terms of atmospheric implications, we estimate that organics, on average, are only a minor perturbation on the deliquescence relative humidity of the pure inorganic particles, whereas the organics, on average, may decrease the CRH of pure inorganic particles significantly and this effect depends on the type of organic material.},
	keywords = {ATMOSPHERIC AEROSOL, BLACK CARBON, DICARBOXYLIC-ACIDS, FINE AEROSOL, HUMIC-LIKE SUBSTANCES, HYGROSCOPIC PROPERTIES, MODEL, PHASE-TRANSITIONS, PHYSICAL, RELATIVE-HUMIDITY, STATE},
	isbn = {1089-5639},
	url = {<Go to ISI>://000225924800016},
	author = {Parsons, M. T. and Knopf, D. A. and Bertram, A. K.}
}
@article {579,
	title = {Asymmetric synthesis in a Norrish type II cleavage reaction induced by crystal chirality},
	journal = {Photochemical \& Photobiological Sciences},
	volume = {2},
	number = {11},
	year = {2003},
	note = {ISI Document Delivery No.: 744RDTimes Cited: 0Cited Reference Count: 17},
	pages = {1052-1055},
	type = {Article},
	abstract = {Moderate to high enantiomeric excesses for the cis and trans olefinic products of a Norrish type II cleavage reaction have been obtained for the first time through the use of the solid- state ionic chiral auxiliary approach.},
	keywords = {CIS, HULA-TWIST, PHOTOCHEMISTRY, STATE},
	isbn = {1474-905X},
	url = {<Go to ISI>://000186645200002},
	author = {Charette, A. B. and Chong, K. C. W. and Fournier, J. F. and Patrick, B. and Scheffer, J. R.}
}
@article {690,
	title = {New vibrational assignments in the (A)over-tilde(1) A(u)-(X)over-tilde (1)Sigma(+)(g) electronic transition of acetylene, C2H2: the nu({\textquoteright})(1) frequency},
	journal = {Molecular Physics},
	volume = {101},
	number = {4-5},
	year = {2003},
	note = {ISI Document Delivery No.: 657RRTimes Cited: 9Cited Reference Count: 27},
	pages = {663-673},
	type = {Article},
	abstract = {New laser-induced fluorescence spectra of supersonic jet cooled acetylene (C2H2) in the wavelength region 230-205 nm have led to an improved understanding of the vibrational structure of the (A) over tilde (1)A(u) state. Among the new bands observed are two weak perturbed bands at 46008 cm(-1) and 46116 cm(-1). Rotational analyses of these bands, together with the corresponding {\textquoteright}hot{\textquoteright} bands arising from the ground state v(4) fundamental, have shown that the upper states have asymmetric top K structure that is unaffected by a axis Coriolis coupling; this means that they do not involve overtones of the low frequency bending vibrations and therefore must be combinations of a(g) vibrational normal modes. From their positions in the manifold, their vibrational assignments can only be 2(0)(2)3(0)(1) and 1(0)(1)3(0)(1). These assignments lead to values of x(22){\textquoteright}, x(13){\textquoteright}, and a revised value for the symmetric CH stretching frequency, v(1){\textquoteright} = 2880.5 cm(-1); this revised value is 160 cm(-1) lower than the previously accepted value, but consistent with new ab initio calculations that we performed at the EOM-CCSD level using a TZ2P ( triple-zeta plus double polarization) basis set.},
	keywords = {BANDS, MODES, PARTIAL DEPERTURBATION, ROTATION CONSTANTS, SPECTROSCOPY, SPECTRUM, STATE, WAVELENGTH, X BAND SYSTEM},
	isbn = {0026-8976},
	url = {<Go to ISI>://000181680600017},
	author = {Merer, A. J. and Yamakita, N. and Tsuchiya, S. and Stanton, J. F. and Duan, Z. C. and Field, R. W.}
}
@article {727,
	title = {The photochemistry of trans-1,4,4,4-tetraphenylbut-2-en-1-one: A highly efficient aryl migration (type B) enone photorearrangement},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {81},
	number = {6},
	year = {2003},
	note = {ISI Document Delivery No.: 706UATimes Cited: 0Cited Reference Count: 18},
	month = {Jun},
	pages = {705-708},
	type = {Article},
	abstract = {Photolysis of trans-1,4,4,4-tetraphenylbut-2-en-1-one (3) in acetonitrile or benzene leads to trans-cis isomerization (7) along with rearrangement to trans-1 -benzoyl-2,2,3-triphenylcyclopropane(8). Formation of the latter product represents a new example of the aryl migration (type B) enone photorearrangement reaction first reported by Zimmerman and co-workers for 4,4-diphenylcyclohex-2-en-1-one (1). The quantum yield in the case of enone 3 (0.4) is approximately 10 times greater than that for 4,4,-diphenylcyclohex-2-en-1-one, a result that is ascribed to steric acceleration of phenyl migration from the triphenylmethyl group plus greater resonance stabilization of the intermediate biradical.},
	keywords = {aryl migration, ASYMMETRIC INDUCTION, di-pi-methane, enone, EXPLORATORY ORGANIC PHOTOCHEMISTRY, MECHANISM, MIGRATION, PHENYL, PHOTOCHEMISTRY, PHOTOCYCLIZATION, REARRANGEMENT, STATE},
	isbn = {0008-4042},
	url = {<Go to ISI>://000184472400035},
	author = {Scheffer, J. R. and Vishnumurthy, K.}
}
@article {445,
	title = {Molecular dynamics simulations of a ferroelectric nematic liquid under shear flow},
	journal = {Journal of Chemical Physics},
	volume = {117},
	number = {18},
	year = {2002},
	note = {ISI Document Delivery No.: 610YYTimes Cited: 5Cited Reference Count: 47},
	month = {Nov},
	pages = {8551-8564},
	type = {Article},
	abstract = {We perform nonequilibrium molecular dynamics simulations to examine the change in orientational order of a ferroelectric nematic liquid crystal under shear flow, specifically planar Couette flow. The orientational order is found to decrease with increasing shear rate. This drop in orientational order is not due to structural changes but is rather a result of the director dynamics being flow unstable. Employing both nonequilibrium and equilibrium molecular dynamics with the director orientation fixed, we determine the shear and twist viscosities which relate the pressure tensor to the shear or strain rate tensor in a nematic liquid crystal under flow. The Miesowicz viscosities are then obtained from linear combinations of the shear and twist viscosities. The short-range spatial structure of the ferroelectric nematic liquid crystal is similar to that of a ferroelectric tetragonal I lattice. The relative magnitudes of the Miesowicz viscosities can be understood by examining the shear stress response of this lattice to a shear deformation. (C) 2002 American Institute of Physics.},
	keywords = {BOUNDARY-CONDITIONS, COMPUTER-SIMULATION, CRYSTALS, FLUIDS, MONTE-CARLO, PHASE-TRANSITIONS, rheology, STATE, VISCOSITY},
	isbn = {0021-9606},
	url = {<Go to ISI>://000178990700045},
	author = {McWhirter, J. L. and Patey, G. N.}
}
@article {351,
	title = {Use of chirally modified zeolites and crystals in photochemical asymmetric synthesis},
	journal = {Journal of the American Chemical Society},
	volume = {124},
	number = {12},
	year = {2002},
	note = {ISI Document Delivery No.: 533GFTimes Cited: 45Cited Reference Count: 17},
	month = {Mar},
	pages = {2858-2859},
	type = {Article},
	keywords = {STATE, YANG PHOTOCYCLIZATION REACTION},
	isbn = {0002-7863},
	url = {<Go to ISI>://000174520500003},
	author = {Chong, K. C. W. and Sivaguru, J. and Shichi, T. and Yoshimi, Y. and Ramamurthy, V. and Scheffer, J. R.}
}
@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 {5172,
	title = {Complex magnetism of ferrous chains based on alternating FeN4 and FeS4 tetrahedra},
	journal = {Polyhedron},
	volume = {20},
	number = {11-14},
	year = {2001},
	note = {ISI Document Delivery No.: 451LWTimes Cited: 1Cited Reference Count: 167th International Conference on Molecule-Base Magnets (ICMM 2000)SEP 16-21, 2000SAN ANTONIO, TEXAS},
	month = {May},
	pages = {1243-1246},
	type = {Proceedings Paper},
	abstract = {A combination of nuclear gamma resonance (Mossbauer effect) spectroscopy and ac susceptometry are used to characterize polybis(1-methyl-2-thioimidazolate)iron(II), [Fe(1-Me-2-S-imid)2]0.5Fe(Cp)(2) (hereafter I). An alternative explanation for the I{\textquoteright}s weak ferromagnetic ground stale, namely the alternation of g values along the polymer chain, is qualitatively considered in the light of the ngr results, in particular the temperature dependence and limiting values of the quadrupole splittings of the paramagnetic tetrahedral ferrous sites of this system. (C) 2001 Elsevier Science Ltd. All rights reserved.},
	keywords = {ac-susceptometry, g-factor alternation, iron, iron(II) thioimidazolate, MOSSBAUER, Mossbauer spectroscopy, RUBREDOXIN, SERIES, STATE, weak ferromagnetism},
	isbn = {0277-5387},
	url = {<Go to ISI>://000169804400020},
	author = {Reiff, W. M. and Sanchez, V. and Thompson, R. C. and Storr, A.}
}
@article {5172,
	title = {Complex magnetism of ferrous chains based on alternating FeN4 and FeS4 tetrahedra},
	journal = {Polyhedron},
	volume = {20},
	number = {11-14},
	year = {2001},
	note = {ISI Document Delivery No.: 451LWTimes Cited: 1Cited Reference Count: 167th International Conference on Molecule-Base Magnets (ICMM 2000)SEP 16-21, 2000SAN ANTONIO, TEXAS},
	month = {May},
	pages = {1243-1246},
	type = {Proceedings Paper},
	abstract = {A combination of nuclear gamma resonance (Mossbauer effect) spectroscopy and ac susceptometry are used to characterize polybis(1-methyl-2-thioimidazolate)iron(II), [Fe(1-Me-2-S-imid)2]0.5Fe(Cp)(2) (hereafter I). An alternative explanation for the I{\textquoteright}s weak ferromagnetic ground stale, namely the alternation of g values along the polymer chain, is qualitatively considered in the light of the ngr results, in particular the temperature dependence and limiting values of the quadrupole splittings of the paramagnetic tetrahedral ferrous sites of this system. (C) 2001 Elsevier Science Ltd. All rights reserved.},
	keywords = {ac-susceptometry, g-factor alternation, iron, iron(II) thioimidazolate, MOSSBAUER, Mossbauer spectroscopy, RUBREDOXIN, SERIES, STATE, weak ferromagnetism},
	isbn = {0277-5387},
	url = {<Go to ISI>://000169804400020},
	author = {Reiff, W. M. and Sanchez, V. and Thompson, R. C. and Storr, A.}
}
@article {5009,
	title = {Molecular dynamics study of the collision-induced rotational alignment of N-2(+) drifting in helium},
	journal = {Journal of Chemical Physics},
	volume = {114},
	number = {15},
	year = {2001},
	note = {ISI Document Delivery No.: 418VGTimes Cited: 9Cited Reference Count: 32},
	month = {Apr},
	pages = {6662-6671},
	type = {Article},
	abstract = {The full velocity-angular momentum distribution function for gas-phase N-2(+) drifting in helium is calculated using a molecular dynamics method, and utilized to examine collision-induced rotational alignment in detail. These results are also compared with experimental measurements, most especially those of Anthony [J. Chem. Phys. 112, 10269 (2000)] and those appearing in the preceding article [Anthony , J. Chem. Phys. 114, 6654 (2001)]. Both the calculations and experiments show a number of interesting features including, drift velocities which depend upon rotational state, and quadrupolar alignment parameters which change from negative at high velocities to positive at low velocities. (C) 2001 American Institute of Physics.},
	keywords = {EXCITATION, GENERALIZED CROSS-SECTIONS, HE, IONS, KINETIC-THEORY, LIGHTER GASES, STATE, TRANSPORT, TUBE EXPERIMENTS, VELOCITY DISTRIBUTIONS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000167914400020},
	author = {Baranowski, R. and Wagner, B. and Thachuk, M.}
}
@article {5095,
	title = {Spectra of jet-cooled (SO2)-S-32 and (SO2)-S-34 in systems (a)over-tilde(3)B(1) and (b)over-tilde(3)A(2)-(X)over-tilde(1)A(1): Rotational structure of perturbed (b)over-tilde(3)A(2)},
	journal = {Journal of Chemical Physics},
	volume = {114},
	number = {3},
	year = {2001},
	note = {ISI Document Delivery No.: 388ZNTimes Cited: 6Cited Reference Count: 20},
	month = {Jan},
	pages = {1187-1193},
	type = {Article},
	abstract = {{Spectra of (a) over tilde B-3(1)(nu (1)nu (2)nu (3))=(110) and (200)-(X) over tilde (1)A(1)(000) of (SO2)-S-32 and (SO2)-S-34 are obtained in a supersonic jet at a resolution 0.015 cm(-1). The rotational structures are analyzed for both isotopic species to obtain precise rotational and spin constants. Two new bands at 27 032.222(1) and 27 515.41(1) cm-1 arising from vibronic interaction separately with vibrational state (110) and (200) of (a) over tilde B-3(1) are assigned to transitions to (b) over tilde (3)A(2)(011) and (101). The rotational structure of (b) over tilde (3)A(2) is observed and analyzed for the first time. The two vibrational states are analyzed to yield effective rotational constants A=1.4348(3), 1.89(3)},
	keywords = {AMPLIFIED SPONTANEOUS EMISSION, BAND SYSTEM, NM, SO2, STATE, STIMULATED BRILLOUIN-SCATTERING, SULFUR-DIOXIDE},
	isbn = {0021-9606},
	url = {<Go to ISI>://000166213100015},
	author = {Huang, C. L. and Chen, I. C. and Merer, A. J. and Ni, C. K. and Kung, A. H.}
}
@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 {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 {4690,
	title = {F-19 nuclear spin-rotation constant of yttrium monofluoride},
	journal = {Journal of Molecular Spectroscopy},
	volume = {198},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 246JGTimes Cited: 11Cited Reference Count: 22},
	month = {Nov},
	pages = {183-185},
	type = {Article},
	keywords = {HALIDES, LASER-ABLATION, MOLECULAR-BEAM, PUMP PROBE, SPECTROSCOPY, SPECTRUM, SRF, STATE},
	isbn = {0022-2852},
	url = {<Go to ISI>://000083160200019},
	author = {Walker, K. A. and Gerry, M. C. L.}
}
@article {4680,
	title = {Gas phase ion molecule chemistry of tetracarbonyl (eta(5)-cyclopentadienyl) vanadium by Fourier transform ion cyclotron resonance},
	journal = {International Journal of Mass Spectrometry},
	volume = {182},
	year = {1999},
	note = {ISI Document Delivery No.: 171QJTimes Cited: 1Cited Reference Count: 36},
	month = {Mar},
	pages = {139-148},
	type = {Article},
	abstract = {The kinetics of the reactions between the CpV(CO)(4) molecule and its fragment cations and anions have been examined using Fourier transform ion cyclotron resonance (FTICR) techniques. With 25 eV electron impact ionization the fragment cations V+ and CpV(CO)(n=0-4)(+) react principally by charge exchange or by condensation with the parent neutral molecule. Rate constants for these pathways have been determined along with kinetic evidence for the existence of excited state cations. Some of the product cations show unexpected stability despite their large formal electron deficiency. Exchange of carbonyl ligands was also observed. Under 2.5 eV electron impact, only two anions are produced: CpV(CO)(n=2,3)(-), both of which are unreactive with the parent neutral. (C) 1999 Elsevier Science B.V.},
	keywords = {BOND-DISSOCIATION ENERGIES, CARBONYL CLUSTER FRAGMENTS, carbonyl ligands, FE(CO)5, Fourier transform ion cyclotron resonance mass, gas phase ion chemistry, iron, METAL BONDS, MN+, PENTACARBONYL, REACTIVITY, SPECTROMETRY, STATE, SYSTEMS, V+},
	isbn = {1387-3806},
	url = {<Go to ISI>://000078874700015},
	author = {Taylor, S. M. and Comisarow, M. B.}
}
@article {4303,
	title = {Enantioselective photoelectrocyclization within zeolites: tropolone methyl ether in chirally modified NaY},
	journal = {Chemical Communications},
	number = {13},
	year = {1998},
	note = {ISI Document Delivery No.: ZY601Times Cited: 12Cited Reference Count: 14},
	month = {Jul},
	pages = {1379-1380},
	type = {Article},
	abstract = {Tropolone methyl ether, included within chirally modified Y zeolite, upon irradiation yields a product of 4e electrocyclization in ca, 40\% ee.},
	keywords = {INDUCTION, PHOTOCHEMICAL-REACTIONS, STATE},
	isbn = {1359-7345},
	url = {<Go to ISI>://000074640000028},
	author = {Joy, A. and Scheffer, J. R. and Corbin, D. R. and Ramamurthy, V.}
}
@article {4427,
	title = {The pure rotational spectrum of yttrium monobromide},
	journal = {Journal of Chemical Physics},
	volume = {109},
	number = {13},
	year = {1998},
	note = {ISI Document Delivery No.: 123YFTimes Cited: 14Cited Reference Count: 51},
	month = {Oct},
	pages = {5439-5445},
	type = {Article},
	abstract = {The pure rotational spectrum of the X (1)Sigma(+) ground electronic state of yttrium monobromide has been measured. This is the first high-resolution spectrum recorded for this molecule. Transitions in the ground and first excited vibrational states have been measured for both the (YBr)-Br-79 and (YBr)-Br-81 isotopomers. Equilibrium rotational parameters have been determined and an equilibrium bond distance has been calculated. Vibrational parameters have been estimated. Hyperfine structure due to the bromine nuclei has been observed and nuclear quadrupole and nuclear spin-rotation constants have been determined. These parameters have been used to investigate the ionic character of the Y-Br bond and comparisons have been made to several alkali and alkaline earth metal bromide species. (C) 1998 American Institute of Physics. [S0021-9606(98)02337-X].},
	keywords = {BAND SYSTEM, LASER-INDUCED FLUORESCENCE, MOLECULAR-BEAM, PUMP PROBE, RF DOUBLE-RESONANCE, SPECTROSCOPY, STARK, STATE, TRANSITION, YCL, YF},
	isbn = {0021-9606},
	url = {<Go to ISI>://000076152700032},
	author = {Walker, K. A. and Gerry, M. C. L.}
}
@article {4029,
	title = {Acid-induced unfolding of cytochrome c at different methanol concentrations: Electrospray ionization mass spectrometry specifically monitors changes in the tertiary structure},
	journal = {Biochemistry},
	volume = {36},
	number = {40},
	year = {1997},
	note = {ISI Document Delivery No.: YA264Times Cited: 132Cited Reference Count: 51},
	month = {Oct},
	pages = {12296-12302},
	type = {Article},
	abstract = {The acid-induced denaturation of ferricytochrome c (cyt c) was examined in aqueous solutions containing different concentrations of methanol by electrospray ionization mass spectrometry (ESI MS) and optical spectroscopy. Circular dichroism, fluorescence, and absorption spectroscopy show that at a low concentration of methanol (3\%) a decrease in pH induces a cooperative unfolding transition at around pH 2.6 that is accompanied by a breakdown of the native secondary and tertiary structure of the protein. In 50\% methanol the breakdown of the tertiary structure occurs at around pH 4.0, whereas the alpha-helical content remains largely intact over the whole pH range studied. In ESI MS different protein conformations in solution are monitored by the different charge state distributions they generate during ESI. The ESI mass spectra recorded at near-neutral pH for both methanol concentrations are very similar and show a maximum at (cyt c + 8H(+))8(+). Despite the different conformations of the protein in solution, the acid-denatured states for the two methanol concentrations also show very similar mass spectra with a maximum at (cyt c + 17H(+))17(+). This indicates that the charge state distribution generated during EST is not sensitive to the differences in the secondary structure of the denatured protein. The observed transition from low to high charge states is due to the breakdown of the tertiary structure in both cases. These findings suggest that ESI MS might be a general method to selectively monitor changes in the tertiary structure of proteins.},
	keywords = {ALPHA-HELIX, BETA-LACTOGLOBULIN, CIRCULAR-DICHROISM, DENATURED, FERRICYTOCHROME-C, HEME, PARTIALLY FOLDED STATE, PROBING CONFORMATIONAL-CHANGES, PROTEIN, STATE, TRIFLUOROETHANOL},
	isbn = {0006-2960},
	url = {<Go to ISI>://A1997YA26400034},
	author = {Konermann, L. and Douglas, D. J.}
}
@article {3973,
	title = {Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione},
	journal = {Acta Crystallographica Section C-Crystal Structure Communications},
	volume = {53},
	year = {1997},
	note = {ISI Document Delivery No.: XZ627Times Cited: 4Cited Reference Count: 15Part 9},
	month = {Sep},
	pages = {1257-1259},
	type = {Article},
	abstract = {The two title compounds, C22H28S and C23H30OS, respectively, have almost identical molecular structures, but different crystal structures. The two parts of each molecule are approximately perpendicular to each other, with S ...gamma H distances of 3.06 and 3.02 Angstrom, respectively, suitable for H-atom abstraction in photochemical reactions.},
	keywords = {PHOTOCHEMISTRY, PHOTOCYCLIZATION, STATE},
	isbn = {0108-2701},
	url = {<Go to ISI>://A1997XZ62700041},
	author = {Fu, T. Y. and Scheffer, J. R. and Trotter, J.}
}
@article {3973,
	title = {Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione},
	journal = {Acta Crystallographica Section C-Crystal Structure Communications},
	volume = {53},
	year = {1997},
	note = {ISI Document Delivery No.: XZ627Times Cited: 4Cited Reference Count: 15Part 9},
	month = {Sep},
	pages = {1257-1259},
	type = {Article},
	abstract = {The two title compounds, C22H28S and C23H30OS, respectively, have almost identical molecular structures, but different crystal structures. The two parts of each molecule are approximately perpendicular to each other, with S ...gamma H distances of 3.06 and 3.02 Angstrom, respectively, suitable for H-atom abstraction in photochemical reactions.},
	keywords = {PHOTOCHEMISTRY, PHOTOCYCLIZATION, STATE},
	isbn = {0108-2701},
	url = {<Go to ISI>://A1997XZ62700041},
	author = {Fu, T. Y. and Scheffer, J. R. and Trotter, J.}
}
@article {3630,
	title = {A multiple-quantum H-1 NMR study of conformational biasing of biphenyl in a nematic liquid crystal},
	journal = {Journal of Magnetic Resonance Series A},
	volume = {118},
	number = {2},
	year = {1996},
	note = {ISI Document Delivery No.: TZ082Times Cited: 24Cited Reference Count: 42},
	month = {Feb},
	pages = {264-271},
	type = {Article},
	abstract = {Multiple-quantum H-1 NMR spectroscopy was used to simplify the analysis of the complicated one-quantum spectrum of the 10-spin molecule biphenyl dissolved in a nematic solvent. An eight-quantum spectrum was analyzed to obtain estimates of all dipolar coupling constants and chemical shifts, which were used as a starting point to solve the one-quantum spectrum, The dipolar couplings from the one-quantum spectrum were used, in combination with those determined in a previous study using different liquid-crystal solvents, to obtain vibrationally corrected geometrical parameters and orientational order parameters, The effective internal rotational potential was found to be shifted slightly toward a more planar configuration relative to the gas-phase potential, with an equilibrium dihedral angle of 37 degrees. (C) 1996 Academic Press, Inc.},
	keywords = {BARRIER, DERIVATIVES, GASEOUS, INTERNAL-ROTATION, MIXTURES, MOLECULAR-STRUCTURE, PERDEUTERATED BIPHENYL, SOLVENTS, SPECTRA, SPECTROSCOPY, STATE},
	isbn = {1064-1858},
	url = {<Go to ISI>://A1996TZ08200013},
	author = {Chandrakumar, T. and Polson, J. M. and Burnell, E. E.}
}
@article {3812,
	title = {Vibrational nonequilibrium in a supersonic expansion with reaction: Application to O-2-O},
	journal = {Journal of Chemical Physics},
	volume = {104},
	number = {10},
	year = {1996},
	note = {ISI Document Delivery No.: TX780Times Cited: 27Cited Reference Count: 127},
	month = {Mar},
	pages = {3579-3597},
	type = {Review},
	abstract = {The hypersonic expansion of O-2 through a nozzle is considered. The steady nonequilibrium vibrational distribution function of O-2, and the nonequilibrium forward reaction rate coefficient for the dissociation of O-2 are calculated theoretically. In the first instance, the vibrational relaxation of O-2 in the absence of reaction is examined in the temperature range 500-2500 K. The master equation for the vibrational populations, coupled to the steady one-dimensional conservation equations is solved numerically. The vibrational population obtained in this way, is compared to the distribution calculated using either a Treanor model or a Boltzmann distribution characterized by a vibrational temperature. The transition probabilities between O-2 vibrational levels employed take into account the vibrational anharmonicity, and the anisotropic intermolecular potential. For the temperature range 2500-5000 K, the vibrational relaxation including dissociation and recombination is studied. The reactive probabilities that are required for this calculation were obtained from the model of Kiefer and Hajduk [Chem. Phys. 38, 329 (1979)]. (C) 1996 American Institute of Physics.},
	keywords = {CHEMICAL-KINETICS, CROSS-SECTIONS, DIATOMIC, DISSOCIATION, HF-HF COLLISIONS, OSCILLATOR, POTENTIAL-ENERGY SURFACE, RATE CONSTANTS, SELF-RELAXATION, STATE, TEMPERATURE},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1996TX78000021},
	author = {Shizgal, B. D. and Lordet, F.}
}
@article {3828,
	title = {Zeolite as a host for chiral induction},
	journal = {Chemical Communications},
	number = {18},
	year = {1996},
	note = {ISI Document Delivery No.: VJ635Times Cited: 30Cited Reference Count: 21},
	month = {Sep},
	pages = {2159-2160},
	type = {Article},
	abstract = {By employing a strategy that involves the use of chirally modified zeolite as the reaction medium, modest enantioselectivity is achieved during photolysis of two ketones capable of undergoing the Norrish-Yang reaction.},
	keywords = {ALKYL PHENYL KETONES, BEHAVIOR, GAMMA-HYDROGEN ABSTRACTION, II REACTION, STATE},
	isbn = {1359-7345},
	url = {<Go to ISI>://A1996VJ63500025},
	author = {Sundarababu, G. and Leibovitch, M. and Corbin, D. R. and Scheffer, J. R. and Ramamurthy, V.}
}
@inbook {3511,
	title = {Isomorphous substitution of silicon by boron or aluminum in layered silicates},
	booktitle = {Catalysis by Microporous Materials},
	series = {Studies in Surface Science and Catalysis},
	volume = {94},
	year = {1995},
	note = {ISI Document Delivery No.: BE31JTimes Cited: 7Cited Reference Count: 15Proceedings PaperInternational Symposium on Catalysis by Microporous Materials (ZEOCAT 95)JUL 09-13, 1995SZOMBATHELY, HUNGARYSARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	pages = {47-54},
	publisher = {Elsevier Science Publ B V},
	organization = {Elsevier Science Publ B V},
	address = {Amsterdam},
	abstract = {In order to systematically change the properties of layered silicate materials, we have investigated the possibility of isomorphous substitution of silicon by aluminum or boron. It is demonstrated that addition of boron and/or aluminum compounds to the reaction mixture leads directly to boron and aluminum containing layered materials in a hydrothermal crystallization process without further treatment. The layered materials obtained were identified as hectorite types, magadiite and kenyaite-like types. The isomorphous substitutions were pr-oven by B-11, Al-27, and Si-29 solid state MMR spectroscopy.},
	keywords = {MAGADIITE, NMR, SODIUM, STATE},
	isbn = {0-444-82049-3},
	url = {<Go to ISI>://A1995BE31J00005},
	author = {Schwieger, W. and Pohl, K. and Brenn, U. and Fyfe, C. A. and Grondey, H. and Fu, G. and Kokotailo, G. T.},
	editor = {Beyer, H. K. and Karge, H. G. and Kiricsi, I. and Nagy, J. B.}
}
@article {2755,
	title = {CRYSTAL-STRUCTURE CORRELATIONS IN THE PHOTOCHEMISTRY OF DIMETHYL 9-CHLOROMETHYL-9,10-DIHYDRO-9,10-ETHENOANTHRACENE-11,12-DICARBOXYLATE},
	journal = {Acta Crystallographica Section B-Structural Science},
	volume = {49},
	year = {1993},
	note = {ISI Document Delivery No.: MD729Times Cited: 2Cited Reference Count: 6Part 5},
	month = {Oct},
	pages = {905-909},
	type = {Article},
	abstract = {{A study of the photochemistry of the title 9-chloromethyldibenzobarrelene-11,12-diester (1) reveals the formation of semibullvalene derivatives [(2) and (3)] in acetone solution, with additional noveL photoproducts [two isomers of dimethyl 5-chloro-10-methylene-5,5a,10,10a-tetrahydroindeno[2,1-a]-indene-5a,10a- dicarboxylate; (4) and (5)] in other solvents, and especially in solid-state photolysis. The structures of (1), (4) and (5) have been determined by X-ray crystal analyses. Crystal data: T = 294 K, Cu Kalpha},
	keywords = {STATE},
	isbn = {0108-7681},
	url = {<Go to ISI>://A1993MD72900019},
	author = {Chen, J. X. and Pokkuluri, P. R. and Scheffer, J. R. and Trotter, J.}
}
@article {2755,
	title = {CRYSTAL-STRUCTURE CORRELATIONS IN THE PHOTOCHEMISTRY OF DIMETHYL 9-CHLOROMETHYL-9,10-DIHYDRO-9,10-ETHENOANTHRACENE-11,12-DICARBOXYLATE},
	journal = {Acta Crystallographica Section B-Structural Science},
	volume = {49},
	year = {1993},
	note = {ISI Document Delivery No.: MD729Times Cited: 2Cited Reference Count: 6Part 5},
	month = {Oct},
	pages = {905-909},
	type = {Article},
	abstract = {{A study of the photochemistry of the title 9-chloromethyldibenzobarrelene-11,12-diester (1) reveals the formation of semibullvalene derivatives [(2) and (3)] in acetone solution, with additional noveL photoproducts [two isomers of dimethyl 5-chloro-10-methylene-5,5a,10,10a-tetrahydroindeno[2,1-a]-indene-5a,10a- dicarboxylate; (4) and (5)] in other solvents, and especially in solid-state photolysis. The structures of (1), (4) and (5) have been determined by X-ray crystal analyses. Crystal data: T = 294 K, Cu Kalpha},
	keywords = {STATE},
	isbn = {0108-7681},
	url = {<Go to ISI>://A1993MD72900019},
	author = {Chen, J. X. and Pokkuluri, P. R. and Scheffer, J. R. and Trotter, J.}
}
@article {2935,
	title = {ROTATIONAL SPECTRUM, STRUCTURE, AND CHLORINE NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF THE VANDERWAAL COMPLEX AR-CL2},
	journal = {Journal of Chemical Physics},
	volume = {98},
	number = {5},
	year = {1993},
	note = {ISI Document Delivery No.: KR111Times Cited: 62Cited Reference Count: 31},
	month = {Mar},
	pages = {3726-3731},
	type = {Article},
	abstract = {The pure rotational spectrum of the van der Waals complex Ar-Cl2 has been observed between 5 and 14 GHz using a Balle-Flygare type pulsed molecular beam microwave Fourier transform spectrometer. Ten a-type rotational transitions of Ar-Cl-35(2), as well as five a-type rotational transitions of the mixed isotopomer Ar-(ClCl)-Cl-35-Cl-37, have been assigned. The rotational constants and quartic centrifugal distortion constants have been determined. Unlike its isovalent linear isomer Ar-CIF, Ar-Cl2 has been found to be a T-shaped complex. This confirms the result from electronic spectroscopy and is in accord with the atom-atom additive model. The distance from the Ar nucleus to the center of mass of the Cl2 subunit has been calculated to be 3.7190 angstrom for Ar-Cl-35(2) and 3.7184 angstrom for Ar-(ClCl)-Cl-35-Cl-37, respectively. The van der Waals stretch and bend force constants, as well as their corresponding harmonic vibrational frequencies, have been derived and compared with the theoretically predicted values. The nuclear hyperfine splittings due to the two chlorine nuclei have been resolved and the coupling constants have been accurately determined. For Cl-35 these are (in MHz): chi(aa) = 54.8180(16), chi(bb) = -110.7131(19), chi(cc) = 55.8951(19) in Ar-Cl-35(2); and chi(aa) = 54.8407(27), chi(bb) = -110.706(20), chi(cc) = 55.866(20) in Ar-(ClCl)-Cl-35-Cl-37. For Cl-37 the values are chi(aa) = 43.2111(29), chi(bb) = -87.267(12), chi(cc) = 44.056(12) in Ar-(ClCl)-Cl-35-Cl-37. A value has been obtained for the nuclear quadrupole coupling constant in free diatomic chlorine.},
	keywords = {AR, HCN DIMER, HECL2, J-DEPENDENCE, MICROWAVE, MOLECULES, NECL2, SPECTROSCOPY, STATE, VIBRATIONAL PREDISSOCIATION},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993KR11100017},
	author = {Xu, Y. J. and Jager, W. and Ozier, I. and Gerry, M. C. L.}
}
@article {7175,
	title = {ATOMIC EXCITATION IN A JET-ASSISTED GLOW-DISCHARGE PLASMA PLUME},
	journal = {Spectrochimica Acta Part B-Atomic Spectroscopy},
	volume = {47},
	number = {11},
	year = {1992},
	note = {ISI Document Delivery No.: JN613Times Cited: 9Cited Reference Count: 41},
	month = {Oct},
	pages = {1287-1307},
	type = {Article},
	abstract = {A jet-assisted glow discharge emission source has previously been shown to suffer from self-absorption when the viewing axis is orientated in line with the support gas flow. This problem can be alleviated by rotating the viewing axis 90-degrees so that the absorption path length is significantly reduced; however, in viewing side-on, line-of-sight measurements of the plasma plume can be accomplished no closer than 25 mm from the sample surface due to geometry limitations. At this axial distance from the sample, the plume shows no Ar 11 emission, which differentiates it from the negative glow. Furthermore. evidence was found that the plume possesses features similar to flowing afterglows: energy is transported from the negative glow to the plume through argon metastable atoms. The collision of two metastable argon atoms produces ionization to the ground state of the argon ion, deactivation to the ground state of the argon atom and an energetic electron (7.32-7.68 eV) which is capable of exciting sputtered atoms. A strong correlation is observed between the square of the argon metastable population and the emission intensity for Cu I and Zn I as the jet flow rate is manipulated.},
	keywords = {ARGON, ICP, ION-SOURCE, LAMP, MASS-SPECTROMETRY, PERFORMANCE, STATE},
	isbn = {0584-8547},
	url = {<Go to ISI>://A1992JN61300005},
	author = {Banks, P. R. and Blades, M. W.}
}
@article {7308,
	title = {CRYSTALLOGRAPHIC DETERMINATION OF THE PREFERRED GEOMETRY FOR INTRAMOLECULAR HYDROGEN-ATOM ABSTRACTION IN 1,8-CYCLOHEXADECANEDIONE},
	journal = {Molecular Crystals and Liquid Crystals},
	volume = {219},
	year = {1992},
	note = {ISI Document Delivery No.: JD451Times Cited: 6Cited Reference Count: 2410TH INTERNATIONAL CONF ON THE CHEMISTRY OF THE ORGANIC SOLID STATE ( ICCOSS 10 )JUL 07-12, 1991VANCOUVER, CANADACHEM INST CANADA, NAT SCI \& ENGN RES COUNCIL CANADA, PETR RES FUND, UNIV BRIT COLUMBIA, BRUKER SPECTROSPIN CANADA, CHEMAGNETICS, DOTY SCI, GORDON \& BREACH SCI PUBL},
	pages = {17-28},
	type = {Proceedings Paper},
	keywords = {CRYSTAL STRUCTURE-REACTIVITY, HYDROGEN ABSTRACTION GEOMETRY, II REACTIONS, MACROCYCLIC DIKETONE, MOLECULAR MECHANICS METHODOLOGY, NORRISH TYPE-II REACTION, PHOTOCHEMISTRY, REACTIVITY, RELATIONSHIPS, SOLID STATE ORGANIC PHOTOCHEMISTRY, STATE, TRANSFERS, TRANSITION STRUCTURES},
	isbn = {0140-6566},
	url = {<Go to ISI>://A1992JD45100002},
	author = {Lewis, T. J. and Rettig, S. J. and Scheffer, J. R. and Trotter, J.}
}
@article {7308,
	title = {CRYSTALLOGRAPHIC DETERMINATION OF THE PREFERRED GEOMETRY FOR INTRAMOLECULAR HYDROGEN-ATOM ABSTRACTION IN 1,8-CYCLOHEXADECANEDIONE},
	journal = {Molecular Crystals and Liquid Crystals},
	volume = {219},
	year = {1992},
	note = {ISI Document Delivery No.: JD451Times Cited: 6Cited Reference Count: 2410TH INTERNATIONAL CONF ON THE CHEMISTRY OF THE ORGANIC SOLID STATE ( ICCOSS 10 )JUL 07-12, 1991VANCOUVER, CANADACHEM INST CANADA, NAT SCI \& ENGN RES COUNCIL CANADA, PETR RES FUND, UNIV BRIT COLUMBIA, BRUKER SPECTROSPIN CANADA, CHEMAGNETICS, DOTY SCI, GORDON \& BREACH SCI PUBL},
	pages = {17-28},
	type = {Proceedings Paper},
	keywords = {CRYSTAL STRUCTURE-REACTIVITY, HYDROGEN ABSTRACTION GEOMETRY, II REACTIONS, MACROCYCLIC DIKETONE, MOLECULAR MECHANICS METHODOLOGY, NORRISH TYPE-II REACTION, PHOTOCHEMISTRY, REACTIVITY, RELATIONSHIPS, SOLID STATE ORGANIC PHOTOCHEMISTRY, STATE, TRANSFERS, TRANSITION STRUCTURES},
	isbn = {0140-6566},
	url = {<Go to ISI>://A1992JD45100002},
	author = {Lewis, T. J. and Rettig, S. J. and Scheffer, J. R. and Trotter, J.}
}
@article {7358,
	title = {MONOMER AND EXCIMER FLUORESCENCE OF HORSE PLASMA GELSOLIN LABELED WITH N-(1-PYRENYL)IODOACETAMIDE},
	journal = {Biochemistry and Cell Biology-Biochimie Et Biologie Cellulaire},
	volume = {70},
	number = {7},
	year = {1992},
	note = {ISI Document Delivery No.: JP667Times Cited: 3Cited Reference Count: 27},
	month = {Jul},
	pages = {573-578},
	type = {Article},
	abstract = {Horse plasma gelsolin was labelled with the sulfhydryl-specific fluorescent reagent N-(1-pyrenyl)iodoacetamide. The level of incorporation of probe was 1.6 +/- 0.3 mol pyrene/mol gelsolin. The circular dichroism spectrum of pyrenyl-gelsolin and its ability to interact with muscle actin were not different from that found for unmodified gelsolin. The emission from pyrenyl-gelsolin was dominated by a broad emission band centred near 483 nm, characteristic of the presence of pyrene excimers. Analysis of excitation spectra for the monomer and excimer-type fluorescence suggested that ground-state interactions may occur between adjacent pyrenes in the gelsolin structure. In the case either of excimer formation or of ground-state pyrene-pyrene interactions in doubly labelled gelsolin molecules, the modified Cys residues must be in close proximity in the folded protein structure. Thermal denaturation of gelsolin could be monitored by observing the decrease in excimer emission that accompanied heating and unfolding of the tertiary structure. While heat treatment alone did not eliminate excimer fluorescence, digestion of gelsolin with chymotrypsin completely abolished such emission. Also, pyrenyl-gelsolin prepared and studied in 6 M guanidine-HCl exhibited fluorescence characteristic of pyrene monomers exclusively.},
	keywords = {ACTIN-FILAMENTS, BINDING, CIRCULAR-DICHROISM, denaturation, FLUORESCENCE LIFETIME, gelsolin, POLYMERIZATION, PROBE, PROTEIN, PYRENE EXCIMER FLUORESCENCE, PYRENE-ACTIN, STATE, thermal, TROPOMYOSIN},
	isbn = {0829-8211},
	url = {<Go to ISI>://A1992JP66700008},
	author = {Silva, B. E. R. and Koepf, E. K. and Burtnick, L. D. and Turro, N. J.}
}
@article {7019,
	title = {NATURE OF THE CATALYTICALLY INACTIVE COBALT HYDRIDE FORMED UPON HYDROGENATION OF AROMATIC SUBSTRATES - STRUCTURE AND CHARACTERIZATION OF THE BINUCLEAR COBALT HYDRIDE [(PRI2P(CH2)3PPRI2)CO]2(H)(MU-H)3},
	journal = {Inorganic Chemistry},
	volume = {30},
	number = {10},
	year = {1991},
	note = {ISI Document Delivery No.: FM296Times Cited: 6Cited Reference Count: 28},
	month = {May},
	pages = {2437-2441},
	type = {Note},
	keywords = {COMPLEXES, CRYSTAL, MOLECULAR-STRUCTURE, ORGANOMETALLIC COMPOUNDS, RADICAL-ANION, rhodium, STATE},
	isbn = {0020-1669},
	url = {<Go to ISI>://A1991FM29600039},
	author = {Fryzuk,Michael D. and Ng, J. B. and Rettig, S. J. and Huffman, J. C. and Jonas, K.}
}
