@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 {479,
	title = {Fourier transform emission spectroscopy of a new (2)Phi-1(2) Delta system of VO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {211},
	number = {2},
	year = {2002},
	note = {ISI Document Delivery No.: 547WFTimes Cited: 11Cited Reference Count: 39},
	month = {Feb},
	pages = {279-283},
	type = {Article},
	abstract = {High-resolution emission spectra of VO have been recorded in the region 3400-19400 cm(-1) using a Fourier transform spectrometer. The molecules were observed from the reaction of VOCl3 with active nitrogen. Two new bands, with origins near 5539.46 and 5551.69 cm(-1), are assigned as the 0-0 bands of the (2)Phi(5/2)-(2)Delta(3/2) and (2)Phi(7/2)-(2)Delta(5/2) spin-orbit components (respectively) of a (2)Phi-1(2)Delta electronic transition of VO. A rotational analysis of both subbands has been carried out and spectroscopic constants have been extracted. The 1(2)Delta state is known from the previous analysis of the near infrared doublet transitions of VO and the new (2)Phi excited state has rotational constants very similar to those of another (2)Phi state observed previously [Merer et al., J. Mol. Spectrosc. 125, 465 (1987)]. (C) 2002 Elsevier Science (USA).},
	keywords = {BAND, OXIDES, PERTURBATIONS, ROTATIONAL STRUCTURE, SPECTRA, STATES, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://000175355100014},
	author = {Ram, R. S. and Bernath, P. F. and Davis, S. P. and Merer, A. J.}
}
@article {4668,
	title = {Comment on "Fine and magnetic hyperfine structure in the A(2)Pi and X-2 Sigma(+) states of yttrium monoxide"},
	journal = {Journal of Chemical Physics},
	volume = {111},
	number = {13},
	year = {1999},
	note = {ISI Document Delivery No.: 238UWTimes Cited: 5Cited Reference Count: 14},
	month = {Oct},
	pages = {6148-6149},
	type = {Letter},
	keywords = {BAND, SPECTRUM, ZRN},
	isbn = {0021-9606},
	url = {<Go to ISI>://000082732100057},
	author = {Simard, B. and Watson, J. K. G. and Merer, A. J. and Steimle, T. C.}
}
@article {4581,
	title = {High-resolution fourier transform infrared spectroscopy of vinyl alcohol: Rotational analysis of the nu(13) CH2 wagging fundamental at 817 cm(-1)},
	journal = {Journal of Molecular Spectroscopy},
	volume = {197},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 230KFTimes Cited: 11Cited Reference Count: 17},
	month = {Sep},
	pages = {68-75},
	type = {Article},
	abstract = {The first high-resolution infrared spectra of the unstable molecule vinyl alcohol are reported. The spectra have been obtained using a new precursor, 2-chloroethanol, which when pyrolyzed at 1050 degrees C gives strong infrared spectra of vinyl alcohol free of interfering hydrocarbon absorption bands. In this work, we have analyzed the strong v(13) fundamental at 817 cm(-1) and substantially improved the ground state rotational constants by a simultaneous fitting of previous microwave data and a large number of infrared combination differences. The 13(1) upper state was found to be perturbed by the 15(2) "dark" state at 775.7 cm(-1), and a complete analysis of the perturbed rotational structure has been achieved using an interacting two-state model. Further small perturbations at high K-a, and J have been identified as interactions with the v(10) and v(12) fundamentals at 948 and 960 cm(-1), respectively. (C) 1999 Academic Press.},
	keywords = {BAND, DARK STATES, INTERACTING BRIGHT, MOLECULAR-CONSTANTS, SPECTRUM},
	isbn = {0022-2852},
	url = {<Go to ISI>://000082249800009},
	author = {Joo, D. L. and Merer, A. J. and Clouthier, D. J.}
}
@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 {3313,
	title = {ANALYSIS OF VALENCE XPS OF (CH2-CHR)(N) (R=H, CH3, OH AND F), (CH2-CH2-NH)(N) AND (CH2-CH2-O)(N) POLYMERS BY THE SEMIEMPIRICAL HAM/3 MO METHOD USING THE N-MER (N=2, 3, 4, 5) MODEL},
	journal = {Journal of Physics and Chemistry of Solids},
	volume = {56},
	number = {8},
	year = {1995},
	note = {ISI Document Delivery No.: RF331Times Cited: 26Cited Reference Count: 50},
	month = {Aug},
	pages = {1131-1140},
	type = {Article},
	abstract = {The valence X-ray photoelectron spectra (XPS) of six representative polymers [CH2-CHR)(n) (R = H, CH3, OH, F), (CH2-CH2-NH)(n), and (CH2-CH2-O)(n)] were analysed by a semi empirical HAM/3 MO method using model molecules [H-(CH2-CHR)(n)-H, (R = H, CH3, OH, F), H2N-(CH2-CH2-NH)(n)-H, and HO-(CH2-CH2-O)(n)-H] with n = 2 to 5. The calculated AlK alpha photo electron spectra were obtained using Gaussian functions of an approximate linewidth (0.10I(k)); I-k = I{\textquoteright}(k) - WD, where I{\textquoteright}(k); is the vertical ionization potential (VIP) of each MO and WD is a shift to account for sample work function, polarization energy and other effects. To explain the broader linewidth for the inner valence spectra, we propose that the lifetime of the 2s hole states are shorter because the holes can be filled by 2p electrons in ultra-violet emission or radiationless transition. The theoretical spectra showed good agreement with the observed spectra of the polymers between 0-40 eV. The present results suggest that the spectra can be analysed by the calculations for model trimers.},
	keywords = {BAND, CLUSTER-EXPANSION, Electronic Structure, ELECTRONIC-STRUCTURE, ENERGY-LEVELS, ESCA, IONIZATION, photoelectron spectroscopy, POLYETHYLENE, POLYMERS, POLYOXYMETHYLENE, RAY PHOTOELECTRON-SPECTROSCOPY, SPECTRA, WAVEFUNCTION},
	isbn = {0022-3697},
	url = {<Go to ISI>://A1995RF33100017},
	author = {Endo, K. and Kaneda, Y. and Aida, M. and Chong, D. P.}
}
@article {3475,
	title = {DENSITY-FUNCTIONAL COMPUTATIONS OF THE DIPOLE-MOMENT DERIVATIVES FOR HALOGENATED METHANES},
	journal = {Journal of Physical Chemistry},
	volume = {99},
	number = {42},
	year = {1995},
	note = {ISI Document Delivery No.: TB810Times Cited: 10Cited Reference Count: 82},
	month = {Oct},
	pages = {15387-15395},
	type = {Article},
	abstract = {Electric dipole moments for the equilibrium molecular structures and their derivatives along the symmetry coordinates of vibration were computed for CH2F2, CD2F2, CH2Cl2, CD2Cl2, CF2Cl2, CH3F, CD3F, CH3Cl, CD3Cl, CHF3, CDF3, CHCl3, CDCl3, CFCl3, CF3Cl, CF4, and CCl4 by means of the deMon density functional program (St-Amant, A.; Salahub, D. R. Chem. Phys. Lett. 1990, 169, 387). A satisfactory agreement was found between the experimental and computed dipole moments for the equilibrium molecular structures. Perfect agreement was found between the rotational corrections to the dipole moment derivatives calculated by deMon and those obtained independently from the permanent dipole moment and the orthogonality relations between the symmetry coordinates and the rotational coordinates. Using force constants which are available from the literature, derivatives of the dipole moments were transformed into the representation of the normal coordinates of vibration, and the results were compared with the experimental data on the infrared intensities. Density functional computations provide reliable information on the relations between the signs of the dipole moment derivatives and in most cases also on their absolute values in the series of investigated molecules.},
	keywords = {ABSOLUTE LINE-INTENSITIES, ATMOSPHERIC INTEREST, BAND, CONTOUR ANALYSES, CORIOLIS INTERACTIONS, FLUORINATED METHANES, HARMONIC FORCE-FIELD, INFRARED-ABSORPTION INTENSITIES, METHYL-FLUORIDE, MOLECULAR-STRUCTURE, PHASE RAMAN-SPECTRA},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1995TB81000011},
	author = {Papousek, D. and Papouskova, Z. and Chong, D. P.}
}
@article {3054,
	title = {THE PURE ROTATIONAL SPECTRUM OF YCL},
	journal = {Journal of Molecular Spectroscopy},
	volume = {166},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: NZ007Times Cited: 17Cited Reference Count: 16},
	month = {Aug},
	pages = {304-309},
	type = {Article},
	abstract = {The microwave spectra of two isotopic species of YCl have been measured using a cavity pulsed microwave Fourier transform spectrometer. The samples were prepared using laser ablation of Y metal in the presence of a Cl2/Ne mixture and were studied entrained in supersonic jets of Ne. Precise values of rotational and centrifugal distortion constants and of Cl nuclear hyperfine constants have been obtained. The latter have been used to examine the electronic structure of the molecule. (C) 1994 Academic Press, Inc.},
	keywords = {BAND, LASER-INDUCED FLUORESCENCE, SCANDIUM, YTTRIUM},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1994NZ00700006},
	author = {Hensel, K. D. and Gerry, M. C. L.}
}
@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.}
}
