@article {1574,
	title = {High resolution laser induced fluorescence spectroscopy of the [18.8] (3)Phi(i)-X (3)Phi(i) (0,0) band of cobalt monofluoride},
	journal = {Journal of Chemical Physics},
	volume = {125},
	number = {6},
	year = {2006},
	note = {ISI Document Delivery No.: 073TITimes Cited: 5Cited Reference Count: 33Steimle, Timothy C. Ma, Tongmei Adam, Allan G. Hamilton, William D. Merer, Anthony J.},
	month = {Aug},
	pages = {9},
	type = {Article},
	abstract = {The fine and hyperfine interaction parameters in the [18.8] (3)Phi (upsilon=0) and X (3)Phi (upsilon=0) states of cobalt monofluoride, CoF, have been determined from an analysis of high-resolution laser induced fluorescence spectra of the [18.8] (3)Phi(3)-X (3)Phi(3) and [18.8] (3)Phi(4)-X (3)Phi(4) band systems. The previously reported pure rotational transitions of the X (3)Phi(4)(upsilon=0) state [T. Okabayashi and M. Tanimoto, J. Mol. Spectrosc. 221, 149 (2003)] were included in the data set. The hyperfine parameters for Co-59 (I=7/2) and F-19 (I=1/2) have been interpreted using atomic data together with a proposed molecular orbital description for the [18.8](3)Phi(i) and X (3)Phi(i) states. A comparison of the hyperfine parameters in the X (3)Phi state of cobalt monohydride, CoH, with those of the X (3)Phi state of CoF reveals that the bonding in the two molecules is significantly different. It is shown that, in a situation where the Omega substates of a multiplet degenerate electronic state are analyzed separately, the Fermi contact parameter b can be determined with fair accuracy from the apparent centrifugal distortion of the hyperfine structure. (c) 2006 American Institute of Physics.},
	keywords = {ALTERNATING COPOLYMERIZATION, CARBON-DIOXIDE, COF, COMPLEXES, ELECTRONIC-SPECTRUM, GROUND-STATE, HYPERFINE-STRUCTURE, PARAMETERS, PROPYLENE-OXIDE, TRANSITION-METAL},
	isbn = {0021-9606},
	url = {<Go to ISI>://000239765100017},
	author = {Steimle, T. C. and Ma, T. M. and Adam, A. G. and Hamilton, W. D. and Merer, A. J.}
}
@article {1087,
	title = {Born-Oppenheimer breakdown effects and hyperfine structure in the rotational spectra of SbF and SbCl},
	journal = {Journal of Molecular Spectroscopy},
	volume = {234},
	number = {2},
	year = {2005},
	note = {ISI Document Delivery No.: 997WETimes Cited: 7Cited Reference Count: 53},
	month = {Dec},
	pages = {195-203},
	type = {Article},
	abstract = {Pure rotational spectra have been measured for the ground electronic states of SbF and SbCl. The molecules were prepared by laser ablation of Sb metal in the presence of SF6 or Cl-2 respectively. Their spectra were measured with a cavity pulsed jet Fourier transform microwave spectrometer. Although both molecules have two unpaired electrons, they are subject to Hund{\textquoteright}s coupling case (c), and have X(1)0(+) ground states. The spectra have been interpreted with the formalism of (1)Sigma(+) molecules. For both molecules spectra of several isotopomers have been measured in the ground and first excited vibrational states. Large hyperfine splittings attributable to both nuclear quadrupole coupling and nuclear spin-rotation coupling have been observed. A Dunham-type analysis has produced unusually large Born-Oppenheimer breakdown parameters, which are interpreted in terms of the electronic structures of the molecules. (c) 2005 Elsevier Inc. All rights reserved.},
	keywords = {antimony monochloride, antimony monofluoride, BISMUTH IODIDE BII, Born-Oppenheimer, breakdown, COUPLING CASE C, DEPENDENCE, DUNHAM COEFFICIENTS, Fourier transform microwave spectroscopy, GROUND-STATE, hyperfine structure, ISOTOPE, laser ablation, MASS DEPENDENCE, MICROWAVE-SPECTRUM, pulsed jets, VII DIATOMIC-MOLECULES, VISIBLE BANDS},
	isbn = {0022-2852},
	url = {<Go to ISI>://000234278700001},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {1088,
	title = {The influence of nuclear volume and electronic structure on the rotational energy of platinum monoxide, PtO},
	journal = {Physical Chemistry Chemical Physics},
	volume = {7},
	number = {12},
	year = {2005},
	note = {ISI Document Delivery No.: 942UOTimes Cited: 11Cited Reference Count: 56},
	month = {Jun},
	pages = {2453-2459},
	type = {Article},
	abstract = {The pure rotational spectra of seven isotopic species of platinum monoxide have been measured with a cavity pulsed jet Fourier-transform microwave spectrometer. The molecules were prepared by laser ablation of Pt foil in the presence of O-2 and stabilized in a supersonic jet of argon. A multi-isotopomer Dunham-type analysis of the spectra produced values for Y-01 and Y-11, along with unusually large values for Born-Oppenheimer breakdown (BOB) parameters for both Pt and O atoms. The values of the BOB parameters have been rationalized in terms of the molecular electronic structure and finite nuclear size (field shift) effects. A large negative Pt-195 effective nuclear spin-rotation constant has been rationalized in terms of the electron-nucleus dipole dipole hyperfine constant. Precise internuclear separations have been evaluated.},
	keywords = {COUPLING CASE C, DIATOMIC-MOLECULES, DIPOLE MOMENT, DUNHAM COEFFICIENTS, EMISSION-SPECTRUM, FIELD SHIFT, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, HYPERFINE CONSTANTS, PB-CHALCOGENIDES},
	isbn = {1463-9076},
	url = {<Go to ISI>://000230308600007},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {823,
	title = {Insights into the xenon-silver halide interaction from a rotational spectroscopic study of XeAgF and XeAgCl},
	journal = {Physical Chemistry Chemical Physics},
	volume = {6},
	number = {13},
	year = {2004},
	note = {ISI Document Delivery No.: 842YUTimes Cited: 25Cited Reference Count: 55},
	month = {Jul},
	pages = {3248-3256},
	type = {Article},
	abstract = {XeAgF and XeAgCl have been prepared by laser ablation of Ag metal in the presence of xenon and SF6 or xenon and Cl-2, respectively. Rotational spectra for 12 isotoporners of XeAgF and 16 isotopomers of XeAgCl have been recorded. Analysis of the spectra indicates that (i) both chemical systems are unusually strongly bound compared to conventional van der Waals complexes, (ii) significant charge rearrangement occurs at the xenon nucleus upon formation of both XeAgF and XeAgCl as shown by the Xe-131 nuclear quadrupole coupling constants and (iii) in both XeAgF and XeAgCl the Xe-Ag distance is small compared to the sum of the Xe van der Waals radius and the Ag+ ionic radius. An ab initio study of the two species has been performed. The combined experimental and theoretical investigations indicate that the Xe-Ag interaction is not easily described, but that there is some evidence for weak chemical bonding.},
	keywords = {BASIS-SETS, CL, COMPLEXES, GROUND-STATE, HYPERFINE CONSTANTS, KR, LASER-ABLATION, MICROWAVE-SPECTRA, MOLECULAR-STRUCTURES, PSEUDOPOTENTIALS},
	isbn = {1463-9076},
	url = {<Go to ISI>://000223041400007},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {1008,
	title = {Microwave spectra and structures of KrAuF, KrAgF, and KrAgBr; Kr-83 nuclear quadrupole coupling and the nature of noble gas-noble metal halide bonding},
	journal = {Journal of the American Chemical Society},
	volume = {126},
	number = {4},
	year = {2004},
	note = {ISI Document Delivery No.: 768GATimes Cited: 42Cited Reference Count: 76},
	month = {Feb},
	pages = {1235-1246},
	type = {Article},
	abstract = {Microwave spectra of the complexes KrAuF and KrAgBr have been measured for the first time using a cavity pulsed jet Fourier transform microwave spectrometer. The samples were prepared by laser ablation of the metal from its solid and allowing the resulting plasma to react with an appropriate precursor (Kr, plus SF6 or Br-2) contained in the backing gas of the jet (usually At). Rotational constants; geometries; centrifugal distortion constants; vibration frequencies; and Au-197, Br-79, and Br-81 nuclear quadrupole coupling constants have all been evaluated. The complexes are unusually rigid and have short Kr-Au and Kr-Ag bonds. The Au-197 nuclear quadrupole coupling constant differs radically from its value in an AuF monomer. In addition Kr-83 hyperfine structure has been measured for KrAuF and the previously reported complex KrAgF. The geometry of the latter has been reevaluated. Large values for the Kr-83 nuclear quadrupole coupling constants have been found for both complexes. Both the Au-197 and Kr-83 hyperfine constants indicate a large reorganization of the electron distribution on complex formation. A thorough assessment of the nature of the noble gas-noble metal bonding in these and related complexes (NgMX; Ng is a noble gas, M is a noble metal, and X is a halogen) has been carried out. The bond lengths are compared with sums of standard atomic and ionic radii. Ab initio calculations have produced dissociation energies along with Mulliken populations and other data on the electron distributions in the complexes. The origins of the rigidity, dissociation energies, and nuclear quadrupole coupling constants are considered. It is concluded that there is strong evidence for weak noble gas-noble metal chemical bonding in the complexes.},
	keywords = {CHEMICAL-BONDS, DIPOLE MOMENT, ELECTRIC-RESONANCE METHOD, GROUND-STATE, HYPERFINE CONSTANTS, MILLIMETER-WAVE, MOLECULAR-CONSTANTS, PURE ROTATIONAL, SPECTRA, SUBMILLIMETER-WAVE SPECTRA, VANDERWAALS COMPLEX},
	isbn = {0002-7863},
	url = {<Go to ISI>://000188534200055},
	author = {Thomas, J. M. and Walker, N. R. and Cooke, S. A. and Gerry, M. C. L.}
}
@article {826,
	title = {Microwave spectra, nuclear field shift effects, geometries and hyperfine constants of bismuth mononitride, BiN, and bismuth monophosphide, BiP},
	journal = {Journal of Molecular Structure},
	volume = {695},
	year = {2004},
	note = {ISI Document Delivery No.: 827SVTimes Cited: 11Cited Reference Count: 66Sp. Iss. SI},
	month = {Jun},
	pages = {13-22},
	type = {Article},
	abstract = {The diatomic molecules BiN and BiP have been prepared using a laser ablation technique and studied by Fourier transform microwave spectroscopy in the frequency range 7-22 GHz. For BiN, only the J = 1-0 transition fell within this range. Transitions for the ground and first excited vibrational states have been observed for both (BiN)-N-14 and (BiN)-N-15. For BiP, which has only one isotopomer, the transitions J{\textquoteright}-J" = 1-0. 2-1 and 3-2 have been observed, but only for the ground vibrational state. Hyperfine structure has been observed for both nuclei in both molecules the Bi-209 nuclear quadrupole coupling constants show that the electronic structures are similar for the two molecules. Improved bond lengths have been obtained for both molecules. Density functional methods have been used to estimate the electron density at the bismuth nucleus in each molecule and hence allow an estimate of the uncertainty due to field shift effects in the experimentally derived bond lengths. (C) 2003 Elsevier B.V. All rights reserved.},
	keywords = {BII, BiN, BiP, BORN-OPPENHEIMER APPROXIMATION, Born-Oppenheimer breakdown, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, HIGH-RESOLUTION, HYPERFINE, IODIDE, ISOTOPE DEPENDENCE, microwave spectra, MOMENTS, nuclear field shift effects, QUADRUPOLE, ROTATIONAL SPECTRUM, STRUCTURE},
	isbn = {0022-2860},
	url = {<Go to ISI>://000221922000003},
	author = {Cooke, S. A. and Michaud, J. M. and Gerry, M. C. L.}
}
@article {968,
	title = {Nuclear hyperfine structure in the X-3 Sigma(+) state of (ZrC)-Zr-91},
	journal = {Journal of Molecular Spectroscopy},
	volume = {228},
	number = {2},
	year = {2004},
	note = {ISI Document Delivery No.: 869ESTimes Cited: 5Cited Reference Count: 43},
	month = {Dec},
	pages = {554-564},
	type = {Article},
	abstract = {{Electronic band systems of zirconium monocarbide, ZrC, in the 16000-19000cm(-1) region have been observed following the reaction of laser-ablated Zr atoms with methane under supersonic free-jet conditions. Rotational analyses of high-resolution spectra have shown that the ground state of ZrC is a (3)Sigma state, with r(0) = 1.8066 Angstrom and an unexpectedly small spin-spin parameter},
	keywords = {BAND SYSTEMS, ELECTRONIC-TRANSITIONS, GROUND-STATE, laser spectroscopy, MONOCARBIDE, OPTICAL SPECTROSCOPY, REGION, RHC, ROTATIONAL ANALYSIS, SPECTRUM},
	isbn = {0022-2852},
	url = {<Go to ISI>://000224966800026},
	author = {Rixon, S. J. and Chowdhury, P. K. and Merer, A. J.}
}
@article {820,
	title = {XeAuF},
	journal = {Journal of the American Chemical Society},
	volume = {126},
	number = {51},
	year = {2004},
	note = {ISI Document Delivery No.: 882AITimes Cited: 50Cited Reference Count: 64},
	month = {Dec},
	pages = {17000-17008},
	type = {Article},
	abstract = {XeAuF has been detected and characterized using microwave rotational spectroscopy. It was prepared by laser ablation of Au in the presence of Xe and SF6, and stabilized in a supersonic jet of Ar. The spectrum was measured with a cavity pulsed jet Fourier transform microwave spectrometer, in the frequency range 6-26 GHz. Rotational constants, centrifugal distortion constants, and Xe-131 and 197 Au nuclear quadrupole coupling constants have been evaluated. The molecule is linear, with a short XeAu bond (2.54 Angstrom), and is rigid. The 131 Xe nuclear quadrupole coupling constant (NQCC) is large (-135 MHz). The 197 Au NQCC differs radically from that of uncomplexed AuF. The results are supported by those of ab initio calculations which have given an XeAu dissociation energy similar to100 kj mol(-1), plus Mulliken and natural bond orbital populations, MOLDEN plots of valence orbitals, and an energy density distribution. All evidence is consistent with XeAu covalent bonding in XeAuF.},
	keywords = {AUF, CHEMICAL-BONDS, CONSTANTS, GOLD(I) FLUORIDE, GROUND-STATE, HYPERFINE, MICROWAVE-SPECTRA, MOLECULAR-STRUCTURES, PURE ROTATIONAL SPECTRA, SUBMILLIMETER-WAVE SPECTROSCOPY, XENON COMPLEXES},
	isbn = {0002-7863},
	url = {<Go to ISI>://000225910400057},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {5104,
	title = {Ferroelectric order in positionally frozen dipolar systems},
	journal = {Journal of Chemical Physics},
	volume = {115},
	number = {10},
	year = {2001},
	note = {ISI Document Delivery No.: 466LTTimes Cited: 13Cited Reference Count: 46},
	month = {Sep},
	pages = {4718-4731},
	type = {Article},
	abstract = {We discuss the possibility of long-range ferroelectric order in an amorphous dipolar system. Our model consists of spheres with frozen positions and freely rotating three-dimensional dipole moments. Correlation functions are calculated by means of the hypernetted-chain integral theory combined with the replica method. Our results suggest that inhomogeneities in the frozen spatial structure induce a gradual local freezing of the dipole axes upon decreasing temperature. However, at sufficiently high densities and dipole moments, the long-range interactions dominate the short-range frustration, resulting in a ferroelectric transition. The estimated transition temperatures depend strongly on the degree of spatial correlation in the underlying system of frozen spheres. For a randomly frozen system, we find that the transition temperature is considerably lower than that predicted by mean field theory, and also lower than the temperature where simulations indicate the onset of glass-like behavior. Strong positional correlations can push the transition toward temperatures higher even than those observed for dipolar fluids. (C) 2001 American Institute of Physics.},
	keywords = {GROUND-STATE, HARD-SPHERES, HYPERNETTED-CHAIN APPROXIMATION, INTEGRAL-EQUATION THEORY, ISING-MODEL, LIQUID-VAPOR INTERFACE, LOCAL-MEAN-FIELD, orientational order, ORNSTEIN-ZERNIKE APPROXIMATION, RANDOM ANISOTROPY},
	isbn = {0021-9606},
	url = {<Go to ISI>://000170647600035},
	author = {Klapp, S. H. L. and Patey, G. N.}
}
@article {3890,
	title = {The electronic spectrum of gaseous CoO in the visible region},
	journal = {Journal of Molecular Spectroscopy},
	volume = {186},
	number = {2},
	year = {1997},
	note = {ISI Document Delivery No.: YV239Times Cited: 20Cited Reference Count: 23},
	month = {Dec},
	pages = {374-402},
	type = {Article},
	abstract = {Laser excitation spectra of gaseous CoO have been recorded using Doppler-limited intracavity spectroscopy and supersonic jet-cooled molecular beam methods, As seen in the molecular beam spectra there are nearly 100 bands arising from the X4 Delta(7/2) spin component of the ground state in the wavelength region 430-720 nm. All of them are very strongly red-degraded and most of them are perturbed, Co-59 hyperfine broadenings or splittings have been observed in many. The bands can be arranged into five electronic transitions, together with a considerable number of "extra" bands induced by perturbations; two of the excited electronic states are (4) Phi, while the other three, which lie within 1700 cm(-1) are (4) Delta. Semi-empirical calculations have been carried out for the (4) Delta excited states, using exchange integrals transferred from the TiO and VO spectra; the predicted energies, spin-orbit structures, and relative intensities in absorption are consistent with the assignment of all three (4) Delta states to the same electron configuration, (4s sigma)(1) (3d delta)(3)(3d pi)(2)(3d sigma)(1) It seems that there are extensive interactions between the excited (4) Delta states, because only one of them gives rise to a recognizable, though irregular, long vibrational progression in absorption. The other two progressions die out abruptly and unexpectedly after three or four members, presumably as a result of interference effects; however, wavelength-resolved fluorescence studies, together with calculations of the Franck-Condon overlap integrals to the various vibrational levels of the ground state, show that the upper state progressions reappear following a region of confused absorption. All of the excited states show highly irregular variations of their vibrational intervals and rotational constants with the vibrational quantum number, v. The wavelength-resolved fluorescence spectra give evidence for new low-lying electronic states of CoO at 3038, 5989, and 9105 cm(-1) based on its vibrational frequency the 3038 cm(-1) state is possibly the sigma delta(4) pi(2)B(4) Sigma(-) state. (C) 1997 Academic Press.},
	keywords = {FEO, GROUND-STATE, HYPERFINE, laser spectroscopy, MOLECULES, ORANGE SYSTEM, SPIN},
	isbn = {0022-2852},
	url = {<Go to ISI>://000071803300017},
	author = {Barnes, M. and Clouthier, D. J. and Hajigeorgiou, P. G. and Huang, G. and Kingston, C. T. and Merer, A. J. and Metha, G. F. and Peers, J. R. D. and Rixon, S. J.}
}
@article {3914,
	title = {Microwave spectrum and geometry of cyanogen N-oxide, NCCNO},
	journal = {Journal of Molecular Spectroscopy},
	volume = {181},
	number = {2},
	year = {1997},
	note = {ISI Document Delivery No.: WH318Times Cited: 22Cited Reference Count: 32},
	month = {Feb},
	pages = {316-322},
	type = {Article},
	abstract = {The microwave spectrum of cyanogen N-oxide, NCCNO, has been investigated in the frequency region between 4 and 23 GHz, using a pulsed jet Fourier transform microwave spectrometer. The spectrum is that of a linear molecule. Transitions of five isotopomers have been analyzed, and r(0), r(s), and r(I,e), geometries have been determined. The geometry and the N-14 nuclear quadrupole coupling constants have been used to compare NCCNO to similar molecules. Though the present data indicate strongly that the molecule is truly linear, they are insufficient to rule out quasi-linear behavior completely. (C) 1997 Academic Press.},
	keywords = {CONSTANTS, GROUND-STATE, MILLIMETER-WAVE, MOLECULE, NCNCO, PARAMETERS, ROTATIONAL SPECTRA, SPECTROSCOPY},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1997WH31800008},
	author = {Brupbacher, T. and Bohn, R. K. and Jager, W. and Gerry, M. C. L. and Pasinszki, T. and Westwood, N. P. C.}
}
@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 {3236,
	title = {ISOTOPE AND HYPERFINE-STRUCTURE IN THE ORANGE SYSTEM OF FEO - EVIDENCE FOR 2 5-DELTA(I) EXCITED-STATES},
	journal = {Journal of Molecular Spectroscopy},
	volume = {170},
	number = {2},
	year = {1995},
	note = {ISI Document Delivery No.: QT231Times Cited: 29Cited Reference Count: 27},
	month = {Apr},
	pages = {449-465},
	type = {Article},
	abstract = {The orange system of FeO has been reinvestigated using low-temperature molecular beam laser-induced fluorescence spectra, obtained by supersonic jet cooling. Two new weak bands have been found, and analyses of some of the previously known bands extended. Measurements of the Fe-54-Fe-56 isotope shifts have been made for most of the bands, and the hyperfine structure of the low-J lines has been recorded for two of the strongest bands of (FeO)-Fe-57. The isotope shifts are consistent with the presence of two (5) Delta(i)-(5) Delta(i) transitions lying within 1000 cm(-1); the origins of the Omega = 4 spin components lie at 5583 and 6110 Angstrom, respectively. The hyperfine patterns and the spin-orbit structure indicate that the upper state electron configurations are (3d delta)(3) (3d pi)(2) (3d sigma)(1), (D5 Delta(i), 5583 Angstrom) and O(2p pi)(3) (4s sigma)(1) (3d delta)(3)(3d pi)(3), (D{\textquoteright}(5) Delta(i), 6110 Angstrom). The bond length in the D{\textquoteright} state (r(0) = 1.654 Angstrom) has been obtained from a deperturbation of the 6110 Angstrom band; it is only 0.035 Angstrom longer than in the ground state, which indicates that electron promotion between the two pi orbitals, nominally O(2p pi) and Fe(3d pi), has only a small effect on the strength of the bonding. The new isotope data still do not clarify the vibrational assignments of the higher levels, which are disorganized by extensive electronic perturbations. (C) 1995 Academic Press, Inc.},
	keywords = {COO, ELECTRONIC STATES, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, MOLECULES, PARAMETERS, TRANSITION},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1995QT23100013},
	author = {Barnes, M. and Fraser, M. M. and Hajigeorgiou, P. G. and Merer, A. J.}
}
@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 {7375,
	title = {REANALYSIS AND EXTENSION OF THE MNH A7-PI-X7-SIGMA+ (0, 0) BAND - FINE-STRUCTURE AND HYPERFINE-INDUCED ROTATIONAL BRANCHES},
	journal = {Journal of Molecular Spectroscopy},
	volume = {156},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: JY986Times Cited: 19Cited Reference Count: 52},
	month = {Dec},
	pages = {296-318},
	type = {Article},
	keywords = {ABINITIO, ELECTRONIC-STRUCTURE, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, LASER, MOLECULES, PARAMETERS, PHOTOELECTRON-SPECTROSCOPY, SIGMA-7, SYSTEMS, TRANSITION-METAL HYDRIDES},
	isbn = {0022-2852},
	url = {<Go to ISI>://A1992JY98600004},
	author = {Varberg, T. D. and Gray, J. A. and Field, R. W. and Merer, A. J.}
}
@article {6761,
	title = {THEORETICAL-STUDY OF HYDRAZOIC ACID AND METHYL AZIDE},
	journal = {Chemical Physics Letters},
	volume = {175},
	number = {5},
	year = {1990},
	note = {ISI Document Delivery No.: EU257Times Cited: 3Cited Reference Count: 28},
	month = {Dec},
	pages = {525-530},
	type = {Article},
	abstract = {State-of-the-art ab initio computations have been performed on the ground state of HN3 and CH3N3. The methods employed include Roothaan-Hartree-Fock molecular orbitals, single- and double-excitation configuration interaction, as well as modified-coupled-pair-functional approximations. The basis sets chosen for this study are the highly efficient atomic natural orbitals. The variational energies obtained are lower than previous studies and the dipole moments agree with experiment. The agreement between computed and observed nuclear quadrupole coupling constants is satisfactory, especially for N-alpha. It is suggested that improved agreement for the other N atoms requires vibrational averaging and possibly the use of the finite-field method.},
	keywords = {1ST-ROW, ABINITIO, CONSTANTS, GROUND-STATE, MICROWAVE-SPECTRUM, MOMENT, N-14, NH3, NITROGEN, QUADRUPOLE HYPERFINE-STRUCTURE},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1990EU25700020},
	author = {Chong, D. P.}
}
