@article {2482,
	title = {Fourier transform microwave spectrum of and Born-Oppenheimer breakdown effects in tungsten monoxide, WO},
	journal = {Canadian Journal of Physics},
	volume = {87},
	number = {5},
	year = {2009},
	note = {ISI Document Delivery No.: 494RVTimes Cited: 0Cited Reference Count: 33Krumrey, Christine Cooke, Stephen A. Russell, Douglas K. Gerry, Michael C. L.},
	month = {May},
	pages = {567-573},
	type = {Article},
	abstract = {Rotational transitions of eight isotopomers of tungsten monoxide, WO, in its X0(+) ground electronic state, have been measured in the frequency range 22-26 GHz, using a cavity Fourier transform microwave spectrometer. The samples were prepared by laser ablation of W metal in the presence of O-2 and stabilized in pulsed supersonic jets of Ne or Ar. Only the J = 1-0 transition was accessible within the frequency range of the spectrometer. It was measured for the ground (nu = 0) and two excited (nu = 1, 2) vibrational states. Hyperfine structure due to W-183 nuclear spin-rotation coupling was found for (WO)-W-183. The overall spectral fit used a Dunham-type expression including Born-Oppenheimer breakdown parameters. Only the nu = 0 and 1 states could be fit to the measurement accuracy because of a small perturbation of the nu = 2 state. It was necessary to account for the finite nuclear size of the W nucleus in the fit. The resulting parameter V-01(W) agreed well with a value calculated using density functional theory. Equilibrium internuclear distances re have been evaluated.},
	keywords = {COUPLING CASE C, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, ENERGY, FIELD SHIFT, INFRARED-SPECTRA, ISOTOPE DEPENDENCE, PB-CHALCOGENIDES, ROTATIONAL SPECTRUM, TL-HALIDES},
	isbn = {0008-4204},
	url = {<Go to ISI>://000269834000014},
	author = {Krumrey, C. and Cooke, S. A. and Russell, D. K. and Gerry, M. C. L.}
}
@article {2281,
	title = {Structure and vibrational assignment of the enol form of 1-chloro-1,1 difluoro-pentane-2,4-dione},
	journal = {J. Mol. Struct.},
	volume = {878},
	number = {1-3},
	year = {2008},
	note = {ISI Document Delivery No.: 300CGTimes Cited: 0Cited Reference Count: 42Tayyari, Sayyed Faramarz Najafi, Atefeh Afzali, Raheleh Emamian, Saeedreza Wang, Yan Alexander},
	month = {Apr},
	pages = {10-21},
	type = {Article},
	abstract = {<p>Molecular structure of 1-chloro-1,1-difluoro-pentane-2,4-dione (monochlorodifluoro-acetylacetone, CDFAA) has been investigated by means of ab initio and Density Functional Theory (DFT) calculations and the results were compared with those of 1,1,1-trifluoropentane-2,4-dione (trifluoro-acetylacetone, TFAA). The harmonic vibrational frequencies of the two most stable cis-enol forms were calculated at the 133LYP level of theory using 6-3 1 G** and 6-311 ++G** basis sets. We also calculated the anharmonic frequencies at the B3LYP/6-31G** level of theory for these two stable cis-enol isomers. The calculated frequencies and the Raman and IR intensities were compared with the experimental results. The energy difference between the two stable cis-enol forms, calculated at the MP2/6-31G** level, is only 3.42 U/mol. The observed vibrational frequencies and intensities in the gas phase are in excellent agreement with the corresponding values calculated for the two most stable conformers. However, the observed IR and Raman frequencies also indicate coexisting of both tautomers in the liquid phase and in solution. According to the theoretical calculations, at the B3LYP/6-31 1++G** level, the hydrogen bond strength for the most stable conformer is 54.45 U/mol, about 2.4 kJ/mol less than that of the corresponding conformer of TFAA. These results are in agreement with the obtained experimental data. (C) 2007 Elsevier B.V. All rights reserved.</p>},
	keywords = {1-chloro-1, 1-difluoro-pentane-2, 4-dione, AB-INITIO, anharmonicity, BETA-DIKETONES, density, ELECTRON-DIFFRACTION, ENERGY, EQUILIBRIUM, functional theory, HEXAFLUORO-ACETYLACETONE, intramolecular hydrogen bond, MALONALDEHYDE, MOLECULAR-STRUCTURE, TAUTOMERISM, vibrational spectra},
	isbn = {0022-2860},
	url = {<Go to ISI>://000255801300002},
	author = {S. F. Tayyari* and Najafi, A. and Afzali, R. and Emamian, S. and Wang, Y. A.}
}
@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 {1580,
	title = {Ion pair dissociation: Spectroscopy and dynamics},
	journal = {Annual Review of Physical Chemistry},
	volume = {57},
	year = {2006},
	note = {ISI Document Delivery No.: 044JOTimes Cited: 26Cited Reference Count: 82Suits, Arthur G. Hepburn, John W.},
	pages = {431-465},
	type = {Review},
	abstract = {Ion pair dissociation processes may be studied Using coherent vacuum Ultraviolet laser sources in a manner entirely analogous to photoelectron spectroscopy, albeit with the anion playing the role of a heavy electron. If the excitation energy is above the dissociation energy and the kinetic energy of the fragment is measured Using ion imaging. this approach is termed ion pair imaging spectroscopy (IPIS) and is related to conventional photoelectron spectroscopy. If the excitation energy is just below the dissociation energy and pulsed-field dissociation is employed, this approach is analogous to mass analyzed threshold ionization (MATI) spectroscopy and is termed threshold ion pair production spectroscopy (TIPPS). These approaches provide a novel means of investigating ion thermochemistry and spectroscopy and superexcited state decay dynamics at high resolution.},
	keywords = {cation, ENERGY, HIGH-RESOLUTION, ion imaging, IONIZATION, METHYL, MOLECULAR-OXYGEN, NEGATIVE-IONS, PHOTODISSOCIATION DYNAMICS, PHOTOELECTRON-SPECTROSCOPY, PHOTOIONIZATION, superexcited states, TIPPS, VACUUM-ULTRAVIOLET, velocity map imaging, VUV, ZEKE},
	isbn = {0066-426X},
	url = {<Go to ISI>://000237668700015},
	author = {Suits, A. G. and Hepburn, J. W.}
}
@article {1461,
	title = {The rotational spectrum and hyperfine structure of arsenic monophosphide, AsP},
	journal = {Journal of Molecular Spectroscopy},
	volume = {238},
	number = {1},
	year = {2006},
	note = {ISI Document Delivery No.: 061MMTimes Cited: 4Cited Reference Count: 40Leung, Flora Cooke, Stephen A. Gerry, Michael C. L.},
	month = {Jul},
	pages = {36-41},
	type = {Article},
	abstract = {Arsenic monophosphide has been prepared by laser ablation of arsenic in the presence of PH3. The J = 2-1 and 1-0 transitions in both the ground and first excited vibrational states have been measured with a cavity pulsed jet Fourier-transform microwave spectrometer. An improved equilibrium internuclear distance (r(e)) has been obtained. Hyperfine structure in the rotational spectrum of AsP has been resolved and has led to the first determinations of the As nuclear quadrupole coupling constant and both nuclear spin-rotation constants. The data enable the electronic structure of AsP to be compared with those of other mixed Group 15 diatomic molecules. (c) 2006 Elsevier Inc. All rights reserved.},
	keywords = {arsenic monophosphide microwave rotational spectrum, BiP, CONSTANTS, DENSITY-FUNCTIONAL THEORY, DISTANCE, ENERGY, equilibrium internuclear, Fourier transform, laser ablation, microwave spectrum, MOLECULES, of arsenic monophosphide, ORDER REGULAR APPROXIMATION, RESONANCE, SPIN-ROTATION, TENSORS},
	isbn = {0022-2852},
	url = {<Go to ISI>://000238876600004},
	author = {Leung, F. and Cooke, S. A. and Gerry, M. C. L.}
}
@article {607,
	title = {Analysis of electron spectra of carbon allotropes (diamond, graphite, fullerene) by density functional theory calculations using the model molecules},
	journal = {Journal of Physical Chemistry A},
	volume = {107},
	number = {44},
	year = {2003},
	note = {ISI Document Delivery No.: 738HWTimes Cited: 2Cited Reference Count: 30},
	month = {Nov},
	pages = {9403-9408},
	type = {Article},
	abstract = {X-ray photoelectron, emission, and Auger electron spectra of diamond, graphite, and fullerene have been analyzed by deMon density-functional theory (DFT) calculations using the model molecules adamantane derivative (C10H12(CH3)(4)), pyrene (C16H10), and C-60, respectively. The theoretical valence photoelectron, C Kalpha X-ray emission, and Auger electron spectra for the allotropes are in good accordance with the experimental ones. The combination analysis of the valence X-ray photoelectron and C Kalpha X emission spectra enables us to divide the valence electronic distribution in the individual contributions for psigma- and ppi-bonding MOs of the carbon allotropes, respectively. The experimental Auger electron spectra of the allotropes can be classified in each range of 1s-2p2p, 1s-2s2p, and 1s-2s2s transitions for C KVV spectra, and in individual contributions of the chemically different carbon atoms from the theoretical analysis.},
	keywords = {APPROXIMATION, AUGER LINE-SHAPES, C-60, ENERGY, POLYMERS, RAY PHOTOELECTRON-SPECTRA, SILICON, SIO2, XPS},
	isbn = {1089-5639},
	url = {<Go to ISI>://000186282000019},
	author = {Endo, K. and Koizumi, S. and Otsuka, T. and Ida, T. and Morohashi, T. and Onoe, J. and Nakao, A. and Kurmaev, E. Z. and Moewes, A. and Chong, D. P.}
}
@article {470,
	title = {Theoretical X-ray photoelectron and Auger electron spectra of polymers by density functional theory calculations using model dimers},
	journal = {Journal of Molecular Structure-Theochem},
	volume = {619},
	year = {2002},
	note = {ISI Document Delivery No.: 624QZTimes Cited: 2Cited Reference Count: 21},
	month = {Dec},
	pages = {241-247},
	type = {Article},
	abstract = {We present theoretical X-ray photoelectron spectra (XPS) and Auger electron spectra (AES) for polymers by density functional theory (DFT) calculations with the Slater{\textquoteright}s transition-state concept. The simulated XPS and AES of three polymers [poly(ethylene) (PE), poly(cis-butadiene) (PcBD), and poly(styrene) (PS)] by DFT calculations using model molecules are in good accordance with the experimental ones. The combined analysis of AES and XPS enable us to clarify the electronic structure of single and double,excitation for polymers from the theoretical viewpoint. (C) 2002 Elsevier Science B.V. All rights reserved.},
	keywords = {APPROXIMATION, Auger electron spectra, density, ENERGY, functional theory, LINE-SHAPES, molecular orbital calculation, polymer, SIO2, X-ray photoelectron spectra},
	isbn = {0166-1280},
	url = {<Go to ISI>://000179773300019},
	author = {Otsuka, T. and Koizumi, S. and Endo, K. and Chong, D. P.}
}
@article {5059,
	title = {Theoretical X-ray photoelectron and emission spectra of Si- and S-containing polymers by density-functional theory calculations using model molecules},
	journal = {Journal of Molecular Structure},
	volume = {561},
	number = {1-3},
	year = {2001},
	note = {ISI Document Delivery No.: 420KQTimes Cited: 5Cited Reference Count: 29},
	month = {Apr},
	pages = {17-28},
	type = {Article},
	abstract = {The X-ray photoelectron and emission spectra (XPS and XES) of Si- and S-containing polymers [(-Si{-CH2-}(3))(n) (PCS), (-Si(CH3)(OH)-O-)(n) (PMHSO), (-Si(C6H5)(OH)-O-)(n) (PTES), (-Si(C6H5)(OH)-O-Si(CH3)(OH)-O-)(n) (PPMHSO), (-C6H4-O-C6H4-SO2-)(n) (PES)] were simulated by the deMon density-functional theory (DFT) calculations using the model molecules. The theoretical valence photoelectron and C K alpha X-ray emission spectra showed good accordance with some experimental ones. The combined analysis of the valence XPS and C and O K alpha XES enables us to divide the observed valence electronic distribution into the individual contributions for p sigma-, p pi- and non-bonding MOs of the polymers. (C) 2001 Elsevier Science B.V. All rights reserved.},
	keywords = {APPROXIMATION, C1S SPECTRA, CK alpha XES, DFT calculations, ELECTRONIC STATES, ENERGY, FILMS, FLUORESCENCE, OLIGOMERS, POLYMERS, SPECTROSCOPY, XPS},
	isbn = {0022-2860},
	url = {<Go to ISI>://000168004500002},
	author = {Endo, K. and Shimada, S. and Ida, T. and Suhara, M. and Kurmaev, E. Z. and Moewes, A. and Chong, D. P.}
}
@article {4977,
	title = {Syntheses, molecular structures, and vibrational spectra of chloropentacarbonylrhodium(III) and -iridium(III) undecafluorodiantimonate(V), [Rh(CO)(5)Cl][Sb2F11](2) and [Ir(CO)(5)Cl][Sb2F11](2): An experimental and density functional study},
	journal = {Inorganic Chemistry},
	volume = {39},
	number = {9},
	year = {2000},
	note = {ISI Document Delivery No.: 311CJTimes Cited: 10Cited Reference Count: 91},
	month = {May},
	pages = {1933-1942},
	type = {Article},
	abstract = {{The reactions of either bis(mu-chloro)tetracarbonyldirhodium(I), [Rh(CO)(2()mu-Cl)](2), or chlorotricarbonyliridium(I), [Ir(CO)(3)Cl](n), in the conjugate Bronsted-Lewis superacid HF-SbF5 and in a CO atmosphere, produce [Rh-(CO)(5)Cl][Sb2F11](2) or [Ir(CO)(5)Cl][Sb2F11](2), respectively. In these oxidative carbonylation reactions, antimony(V) fluoride functions as an oxidizing agent. The reduced product is identified as 6SbF(3). 5SbF(5). [Rh(CO)(5)Cl][Sb2F11]2 is obtained in the form of single crystals. Crystal data: monoclinic, space group P2(1) (No. 4); a = 9.721(1)},
	keywords = {ATOMS, basis sets, BEHAVIOR, CARBONYL-COMPLEXES, CRYSTAL, ELEMENTS, ENERGY, FLUOROSULFATE, MAS-NMR-SPECTRA, ORBITAL METHODS, ROW},
	isbn = {0020-1669},
	url = {<Go to ISI>://000086867000015},
	author = {Willner, H. and Bach, C. and Wartchow, R. and Wang, C. Q. and Rettig, S. J. and Trotter, J. and Jonas, V. and Thiel, W. and Aubke, F.}
}
@article {4977,
	title = {Syntheses, molecular structures, and vibrational spectra of chloropentacarbonylrhodium(III) and -iridium(III) undecafluorodiantimonate(V), [Rh(CO)(5)Cl][Sb2F11](2) and [Ir(CO)(5)Cl][Sb2F11](2): An experimental and density functional study},
	journal = {Inorganic Chemistry},
	volume = {39},
	number = {9},
	year = {2000},
	note = {ISI Document Delivery No.: 311CJTimes Cited: 10Cited Reference Count: 91},
	month = {May},
	pages = {1933-1942},
	type = {Article},
	abstract = {{The reactions of either bis(mu-chloro)tetracarbonyldirhodium(I), [Rh(CO)(2()mu-Cl)](2), or chlorotricarbonyliridium(I), [Ir(CO)(3)Cl](n), in the conjugate Bronsted-Lewis superacid HF-SbF5 and in a CO atmosphere, produce [Rh-(CO)(5)Cl][Sb2F11](2) or [Ir(CO)(5)Cl][Sb2F11](2), respectively. In these oxidative carbonylation reactions, antimony(V) fluoride functions as an oxidizing agent. The reduced product is identified as 6SbF(3). 5SbF(5). [Rh(CO)(5)Cl][Sb2F11]2 is obtained in the form of single crystals. Crystal data: monoclinic, space group P2(1) (No. 4); a = 9.721(1)},
	keywords = {ATOMS, basis sets, BEHAVIOR, CARBONYL-COMPLEXES, CRYSTAL, ELEMENTS, ENERGY, FLUOROSULFATE, MAS-NMR-SPECTRA, ORBITAL METHODS, ROW},
	isbn = {0020-1669},
	url = {<Go to ISI>://000086867000015},
	author = {Willner, H. and Bach, C. and Wartchow, R. and Wang, C. Q. and Rettig, S. J. and Trotter, J. and Jonas, V. and Thiel, W. and Aubke, F.}
}
@article {4666,
	title = {An analysis of O-H interaction potentials, O-H and O-D collision cross sections, and vibrational states},
	journal = {Planetary and Space Science},
	volume = {47},
	number = {1-2},
	year = {1999},
	note = {ISI Document Delivery No.: 179JTTimes Cited: 3Cited Reference Count: 29},
	month = {Jan-Feb},
	pages = {163-174},
	type = {Article},
	abstract = {A detailed comparison of recently published OH, X(2)Pi, (2)Sigma(-), (4)Pi and (4)Sigma(-) potentials is carried out. These potential functions are important in the accurate determination of O-H and O-D collision cross sections. The isotope effect in the O-H and O-D cross sections plays an important role in the enhanced nonthermal escape of H and D from Mars and Venus. The quantum mechanical elastic scattering cross sections for O-H and O-D collisions are determined with a set of potentials which are constructed with a new interpolation of the short range tabulated potentials and the long range asymptotic behaviour. The important role of the asymptotic radial variation of the potential functions in the determination of the elastic cross sections is studied in detail with a semiclassical analysis, and a comparison is made with previous calculations. The vibrational energies for several different X(2)Pi bound potential functions for OH are also calculated and compared with published results. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.},
	keywords = {DISCRETIZATION METHOD QDM, ENERGY, HYDROGEN, MODEL, MOLECULE, OXYGEN, VENUS},
	isbn = {0032-0633},
	url = {<Go to ISI>://000079324100017},
	author = {Shizgal, B. D.}
}
@article {4678,
	title = {Density-functional calculations of molecular electron affinities},
	journal = {Journal of the Brazilian Chemical Society},
	volume = {10},
	number = {5},
	year = {1999},
	note = {ISI Document Delivery No.: 261MCTimes Cited: 8Cited Reference Count: 25},
	month = {Sep-Oct},
	pages = {354-358},
	type = {Article},
	abstract = {Electron affinities of twelve small molecules were calculated by density functional theory using two different functionals(B88-P86 and B3LYP) combined with three different basis sets 6-31++G**:; 6-311++G**; aug-cc-pVTZ. Outer valence Green{\textquoteright}s function method is also employed for calculation of electron affinities of the molecules. The two most efficient approaches were found to be the combination of (1)B88-P86 with 6-31++G**;: basis set and (2)B3LYP with 6-31++G**:;: The two approaches were employed to calculate electron affinities of some medium size molecules.},
	keywords = {APPROXIMATION, ATOMS, BASIS-SETS, density functional theory, ENERGY, EXCHANGE, GAS, molecular electron affinities, SF4, THERMOCHEMISTRY},
	isbn = {0103-5053},
	url = {<Go to ISI>://000084012100003},
	author = {Takahata, Y. and Chong, D. P.}
}
@article {4408,
	title = {Relaxation and transport of molecular systems in the gas phase},
	journal = {International Reviews in Physical Chemistry},
	volume = {17},
	number = {2},
	year = {1998},
	note = {ISI Document Delivery No.: ZQ123Times Cited: 10Cited Reference Count: 108},
	month = {Apr-Jun},
	pages = {185-225},
	type = {Review},
	abstract = {Some of the properties of gas phase relaxation and transport are reviewed with an emphasis on those properties that are due entirely to the presence of internal states in real molecular systems. The theoretical formulations of such non-equilibrium effects is based on the quantum Boltzmann equation. The conditions for the validity and the properties of this equation are reviewed. This includes a general discussion of how the combination of free molecule motion and collisions is required for the approach to global equilibrium. It is shown how the free motion is equivalent to a phase randomization of the elements of the density operator that are off-diagonal in energy. Spin relaxation and the magnetic field dependence (Senftleben-Beenakker effects) of the viscosity for a gas of diatomics are used to illustrate these aspects of the approach to equilibrium.},
	keywords = {BINARY COLLISION APPROXIMATION, BOLTZMANN-EQUATION, CARTESIAN TENSORS, COEFFICIENTS, CROSS-SECTIONS, ENERGY, IRREDUCIBLE, MODERATELY DENSE GAS, MUON SPIN RELAXATION, QUANTUM KINETIC-THEORY},
	isbn = {0144-235X},
	url = {<Go to ISI>://000073824600003},
	author = {Snider, R. F.}
}
@article {3083,
	title = {ELECTRON DEGRADATION AND THERMALIZATION IN SIH4 GAS},
	journal = {Chemical Physics},
	volume = {185},
	number = {1},
	year = {1994},
	note = {ISI Document Delivery No.: NV740Times Cited: 9Cited Reference Count: 30},
	month = {Jul},
	pages = {1-11},
	type = {Article},
	abstract = {The time-dependent Boltzmann equation is applied to the study of the degradation and thermalization of a nonequilibrium distribution of subexcitation electrons in SiH4. For the small electron to SiH4 mass ratio, the collision operators in the Boltzmann equation reduce to the differential Fokker-Planck operator for elastic collisions and the difference operator for inelastic collisions. A finite difference method of solution of the Boltzmann equation is used. The time evolution of the electron energy distribution and the thermalization time of subexcitation electrons are calculated for initial electron energies of 1, 3 and 5 eV. It is shown that super elastic collisions due to vibrational de-excitation play an important role in the thermalization process.},
	keywords = {CROSS-SECTIONS, ENERGY, HELIUM, INITIAL PRODUCTS, NITROGEN, SPECTRA, SUBEXCITATION ELECTRONS, TIME-DEPENDENT ASPECTS, YIELDS},
	isbn = {0301-0104},
	url = {<Go to ISI>://A1994NV74000001},
	author = {Kowari, K. and Shizgal, B. D.}
}
@article {2988,
	title = {{LOCAL-DENSITY STUDIES OF DIATOMIC AB MOLECULES, A},
	journal = {Chemical Physics Letters},
	volume = {220},
	number = {1-2},
	year = {1994},
	note = {ISI Document Delivery No.: NC824Times Cited: 37Cited Reference Count: 34},
	month = {Mar},
	pages = {102-108},
	type = {Article},
	abstract = {The spectroscopic constants and charge distribution for the ground states of 36 diatomic molecules containing C to F and Si to Cl atoms have been studied with the deMon density functional program, using the local density approximation and large basis sets. For each species, we computed the energy and dipole moment at 13 or more internuclear separations R. These energies were fitted to polynomials in R - R(e) by least squares, with the value of R(e) determined by iteration. The extracted coefficients were used to compute spectroscopic constants. The average absolute deviations from experiment were found to be 0.0084 angstrom for R(e), 29 cm-1 for omega(e), 1.11 cm-1 for omega(e)x(e), 0.59 x 10(-3) cm-1 for alpha(e), and 1.4 eV for D0. The net charges from Mulliken population analysis and the dipole moments for the heteronuclear diatomic molecules are discussed in relationship to the electronegativities of the elements. The average absolute difference between mu(upsilon=0)calc and mu(upsilon=0)obs is 0.15 D. Unusual charge distributions were found in CF, NF, OF, CCl, NCl, and OCl.},
	keywords = {APPROXIMATION, ELECTRIC-DIPOLE MOMENT, ENERGY, FUNCTIONAL METHODS, intensities, POLARIZABILITIES},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1994NC82400018},
	author = {Chong, D. P.}
}
@article {7267,
	title = {THE MICROWAVE-SPECTRUM OF THE VANDERWAALS COMPLEX AR-N2},
	journal = {Chemical Physics Letters},
	volume = {196},
	number = {3-4},
	year = {1992},
	note = {ISI Document Delivery No.: JH787Times Cited: 47Cited Reference Count: 34},
	month = {Aug},
	pages = {274-279},
	type = {Article},
	abstract = {The microwave spectrum of the van der Waals complex Ar-N2 has been investigated. N-15 quadrupole coupling constants, rotational and centrifugal distortion constants, structural parameters and an estimate of the dipole moment have been obtained. A value for the N-14 quadrupole coupling constant for free nitrogen has been derived.},
	keywords = {ENERGY, HCN DIMER, J-DEPENDENCE, MOLECULE, N2-AR, NITROGEN, RADIOFREQUENCY, ROTATIONAL SPECTRUM, SPECTROSCOPY},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1992JH78700009},
	author = {Jager, W. and Gerry, M. C. L.}
}
