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(1977, June) The Journal of Chemical Physics Vol. 66 (11) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year1977 (June)Volume66
Issue<   11   >
PublisherAIP Publishing
Mindat Ref. ID2108348Long-form Identifiermindat:1:5:2108348:2
GUID0
Full Reference(1977, June) The Journal of Chemical Physics Vol. 66 (11) AIP Publishing
Plain Text(1977, June) The Journal of Chemical Physics Vol. 66 (11) AIP Publishing
In(1977) The Journal of Chemical Physics Vol. 66. AIP Publishing

Contains

McDowell, H. Keith, Porter, Richard N. (1977) Reduced Green’s functions and coupled perturbed Hartree–Fock calculations. II. Application to the static dipole polarizability of the helium isoelectronic sequence. The Journal of Chemical Physics, 66 (11) 4725-4735 doi:10.1063/1.433835
Hayler, Lewis, Goldstein, Martin (1977) Viscous liquids and the glass transition. VI. Relaxations in simple molecule glasses in the 4–77 K range. The Journal of Chemical Physics, 66 (11) 4736-4744 doi:10.1063/1.433836
Troe, J. (1977) Theory of thermal unimolecular reactions at low pressures. I. Solutions of the master equation. The Journal of Chemical Physics, 66 (11) 4745-4757 doi:10.1063/1.433837
Troe, J. (1977) Theory of thermal unimolecular reactions at low pressures. II. Strong collision rate constants. Applications. The Journal of Chemical Physics, 66 (11) 4758-4775 doi:10.1063/1.433838
Lallemand, M., Vidal, D. (1977) Variation of the polarizability of noble gases with density. The Journal of Chemical Physics, 66 (11) 4776-4780 doi:10.1063/1.433839
Loutfy, Rafik O. (1977) Determination of the absolute energy levels of organic molecules in the gas phase and in condensed media. I. Solution and gas phase ionization energies and electron affinities of substituted pyridine‐N‐oxides. The Journal of Chemical Physics, 66 (11) 4781-4787 doi:10.1063/1.433840
Hildenbrand, D. L. (1977) Thermochemistry of gaseous UF5and UF4. The Journal of Chemical Physics, 66 (11) 4788-4794 doi:10.1063/1.433841
Ellenbogen, James C., Day, Orville W., Smith, Darwin W., Morrison, Robert C. (1977) Extension of Koopmans’ theorem. IV. Ionization potentials from correlated wavefunctions for molecular fluorine. The Journal of Chemical Physics, 66 (11) 4795-4801 doi:10.1063/1.433842
Goodman, Julie, Tully, J. C., Bondybey, V. E., Brus, L. E. (1977) Excited state spectroscopy, subpicosecond predissociation, and solvation of diatomic XeO in solid rare gas hosts. The Journal of Chemical Physics, 66 (11) 4802-4810 doi:10.1063/1.433843
Fukushima, Eiichi, Gibson, A. A. V., Scott, T. A. (1977) Carbon‐13 NMR of carbon monoxide. I. Pressure dependence of translational motion in β‐CO. The Journal of Chemical Physics, 66 (11) 4811-4817 doi:10.1063/1.433817
Pacansky, J., Liu, B. (1977) Hartree–Fock electron affinity of the CN radical. The Journal of Chemical Physics, 66 (11) 4818-4821 doi:10.1063/1.433818
Mahnke, H., Clark, R. J., Sheline, R. K. (1977) Variable temperature 31P and 19F NMR studies of Fe(CO)3(PF3)2 and Fe(CO)2(PF3)3. The Journal of Chemical Physics, 66 (11) 4822-4826 doi:10.1063/1.433819
Popkie, Herbert E., Kaufman, Joyce J. (1977) Molecular calculations with the MODPOT, VRDDO, and MODPOT/VRDDO procedures. II. Cyclopentadiene, benzene, diazoles, diazines, and benzonitrile. The Journal of Chemical Physics, 66 (11) 4827-4831 doi:10.1063/1.433820
Budenholzer, F. E., Gislason, E. A., Jorgensen, A. D. (1977) Determination of potassium ion–rare gas potentials from total cross section measurements. The Journal of Chemical Physics, 66 (11) 4832-4846 doi:10.1063/1.433821
Cahill, J. E. (1977) Infrared spectra of isotopically mixed CO2 crystals. The Journal of Chemical Physics, 66 (11) 4847-4853 doi:10.1063/1.433822
Boulaud, D., Madelaine, G., Vigla, D., Bricard, J. (1977) Experimental study on the nucleation of water vapor sulfuric acid binary system. The Journal of Chemical Physics, 66 (11) 4854-4860 doi:10.1063/1.433823
Bigelow, R. W., Johnson, G. E. (1977) CNDO/S studies on the electronic structure of carbazoles. I. The parent molecule. The Journal of Chemical Physics, 66 (11) 4861-4871 doi:10.1063/1.433824
Harter, William G., Patterson, Chris W. (1977) Orbital level splitting in octahedral symmetry and SF6 rotational spectra. I. Qualitative features of high J levels. The Journal of Chemical Physics, 66 (11) 4872-4885 doi:10.1063/1.433825
Patterson, Chris W., Harter, William G. (1977) Orbital level splitting in octahedral symmetry and SF6 rotational spectra. II. Quantitative treatment of high J levels. The Journal of Chemical Physics, 66 (11) 4886-4892 doi:10.1063/1.433826
von Niessen, W., Cederbaum, L. S., Domcke, W., Diercksen, G. H. F. (1977) Many‐body calculations on molecules with second‐row atoms: H2S and H2CS. The Journal of Chemical Physics, 66 (11) 4893-4899 doi:10.1063/1.433827
Westenberg, A. A., deHaas, N. (1977) A flash photolysis–resonance fluorescence study of the O+C2H2 and O+C2H3Cl reactions. The Journal of Chemical Physics, 66 (11) 4900-4905 doi:10.1063/1.433828
Lee, J. S. (1977) Accurate determination of H2, He, and D2 Compton profiles by high energy electron impact spectroscopy. The Journal of Chemical Physics, 66 (11) 4906-4914 doi:10.1063/1.433829
Tejwani, G. D. T., Yeung, Edward S. (1977) Pressure‐broadened linewidths of formaldehyde. The Journal of Chemical Physics, 66 (11) 4915-4918 doi:10.1063/1.433830
Opella, Stanley J., Waugh, J. S. (1977) Two‐dimensional 13C NMR of highly oriented polyethylene. The Journal of Chemical Physics, 66 (11) 4919-4924 doi:10.1063/1.433831
Kwon, O’Dae, Kim, Dae M., Kobayashi, Riki (1977) Gravity effects on the critical equilibria of a simple mixture. The Journal of Chemical Physics, 66 (11) 4925-4927 doi:10.1063/1.433832
McMahon, D. R. A. (1977) Approximate nonperturbative model of the nonresonant half‐widths for a gas of symmetric top molecules. The Journal of Chemical Physics, 66 (11) 4928-4934 doi:10.1063/1.433833
Loyalka, S. K. (1977) Knudsen forces in vacuum microbalance. The Journal of Chemical Physics, 66 (11) 4935-4940 doi:10.1063/1.433834
Basile, L. J., Ferraro, J. R., Williams, Jack M. (1977) Infrared studies of new one‐dimensional tetracyanoplatinates containing the bifluoride ion. The Journal of Chemical Physics, 66 (11) 4941-4942 doi:10.1063/1.433790
Bar‐Ziv, Ezra (1977) Evaluation of the interatomic potential and the interaction dipole moment of rare gas mixtures from their ir spectra. The Journal of Chemical Physics, 66 (11) 4943-4945 doi:10.1063/1.433791
Jonas, J., Akai, J. A. (1977) Transport processes in compressed liquid methanol. The Journal of Chemical Physics, 66 (11) 4946-4950 doi:10.1063/1.433792
Kaminsky, M. E. (1977) New spectroscopic constants and RKR potential for the A 1Σu+ state of Na2. The Journal of Chemical Physics, 66 (11) 4951-4953 doi:10.1063/1.433793
Chen, Freeman P., Hanson, David M., Fox, David (1977) The origin of Stark shifts and splittings in molecular crystal spectra. II. Exact solution for the point dipole approximation: Durene and naphthalene. The Journal of Chemical Physics, 66 (11) 4954-4960 doi:10.1063/1.433794
Gupta, R. R., Jain, S. K., Ojha, K. G. (1977) Studies on diamagnetic susceptibility of the C=O group in carboxylic acids and esters. The Journal of Chemical Physics, 66 (11) 4961-4962 doi:10.1063/1.433795
Strattan, Laurence W., Kaufman, Myron (1977) Kinetics of the reaction of bromine atoms with molecular fluorine. The Journal of Chemical Physics, 66 (11) 4963-4967 doi:10.1063/1.433796
Crawford, Oakley H., Garrett, W. R. (1977) Electron affinities of polar molecules. The Journal of Chemical Physics, 66 (11) 4968-4970 doi:10.1063/1.433797
Gordon, J. M., Rouse, G. B., Gibbs, J. H., Risen, W. M. (1977) The composition dependence of glass transition properties. The Journal of Chemical Physics, 66 (11) 4971-4976 doi:10.1063/1.433798
Jameson, Cynthia J. (1977) Variation of chemical shielding with internal coordinates. Applications to diatomic molecules. The Journal of Chemical Physics, 66 (11) 4977-4982 doi:10.1063/1.433799
Jameson, Cynthia J. (1977) The isotope shift in NMR. The Journal of Chemical Physics, 66 (11) 4983-4988 doi:10.1063/1.433800
Chang, J. S., Kaufman, F. (1977) Kinetics of the reactions of hydroxyl radicals with some halocarbons: CHFCl2, CHF2Cl, CH3CCl3, C2HCl3, and C2Cl4. The Journal of Chemical Physics, 66 (11) 4989-4994 doi:10.1063/1.433801
Whittenburg, S. L., Wang, C. H. (1977) Light scattering studies of transverse sound wave and molecular motion in benzonitrile. The Journal of Chemical Physics, 66 (11) 4995-5000 doi:10.1063/1.433802
Giauque, W. F., Fisher, R. A. (1977) A basic thermodynamic method of determining absolute temperatures by utilizing the maximum entropy of electronic multiplets near liquid helium temperatures. The Journal of Chemical Physics, 66 (11) 5001-5004 doi:10.1063/1.433803
Atkinson, G. H., Heimlich, T. N., Schuyler, M. W. (1977) Quantitative intracavity laser detection of NO2 by optical multichannel analysis. The Journal of Chemical Physics, 66 (11) 5005-5012 doi:10.1063/1.433804
Sinha, S. K., Ram, J., Singh, Y. (1977) Equilibrium properties of dense simple fluids in the presence of three‐body forces. The Journal of Chemical Physics, 66 (11) 5013-5020 doi:10.1063/1.433805
Swüste, C. H. W., Botterman, A. C., Millenaar, J., de Jonge, W. J. M. (1977) The magnetic phase diagram and exchange parameters in NiCl2⋅2H2O. The Journal of Chemical Physics, 66 (11) 5021-5030 doi:10.1063/1.433806
Rouch, Jacques, Lai, C. C., Chen, Sow‐Hsin (1977) High frequency sound velocity and sound absorption in supercooled water and the thermodynamic singularity at 228°K. The Journal of Chemical Physics, 66 (11) 5031-5034 doi:10.1063/1.433807
LeSar, R., Kopelman, R. (1977) Vibrational excitons, resonant energy transfer, and local structure in liquid benzene. The Journal of Chemical Physics, 66 (11) 5035-5041 doi:10.1063/1.433808
Pattengill, M. D. (1977) On the use of body‐fixed coordinates in classical scattering calculations: Planar trajectory approximation for rotational excitation. The Journal of Chemical Physics, 66 (11) 5042-5045 doi:10.1063/1.433809
Mroczkowski, J. A., Randic, M. (1977) Nd3+multiplet splittings in YAG using an effective ligand point‐charge model. The Journal of Chemical Physics, 66 (11) 5046-5053 doi:10.1063/1.433810
Engelking, P. C., Lineberger, W. C. (1977) Laser photoelectron spectrometry of FeO−: Electron affinity, electronic state separations, and ground state vibrations of iron oxide, and a new ground state assignment. The Journal of Chemical Physics, 66 (11) 5054-5058 doi:10.1063/1.433811
Tränkle, E. (1977) A stochastic model for the transport of proteins in agargel electrophoresis. The Journal of Chemical Physics, 66 (11) 5059-5063 doi:10.1063/1.433812
Procaccia, Itamar, Mukamel, Shaul, Ross, John (1977) Formation of ensembles with constraints of coherence. The Journal of Chemical Physics, 66 (11) 5064-5068 doi:10.1063/1.433813
Philip, J. R. (1977) Unitary approach to capillary condensation and adsorption. The Journal of Chemical Physics, 66 (11) 5069-5075 doi:10.1063/1.433814
Popovic, Zoran D., Sharp, James H. (1977) Pulsed photoconductivity action spectra of β‐metalfree phthalocyanine thin films. The Journal of Chemical Physics, 66 (11) 5076-5082 doi:10.1063/1.433815
Lewis, R. S., Callaway, T. O. (1977) The coefficient of self‐diffusion of liquid sodium from a molecular dynamics calculation. The Journal of Chemical Physics, 66 (11) 5083 doi:10.1063/1.433816
Cederbaum, L. S., Domcke, W. (1977) Localized and delocalized core holes and their interrelation. The Journal of Chemical Physics, 66 (11) 5084-5086 doi:10.1063/1.433763
Krüger, H., Schinke, R. (1977) Impact parameter approach to three‐dimensional vibrationally inelastic ion (atom) –molecule collisions: Application to H++H2. The Journal of Chemical Physics, 66 (11) 5087-5092 doi:10.1063/1.433764
Hase, William L., Kelley, Patrick M. (1977) A bimolecular mechanism for ketene photodissociation in the near ultraviolet. The Journal of Chemical Physics, 66 (11) 5093-5099 doi:10.1063/1.433765
Klots, Cornelius E., Mintz, Donald, Baer, Tomas (1977) Role of angular momentum in unimolecular kinetics: Kinetic energy release in fragmentation of C4H6+. The Journal of Chemical Physics, 66 (11) 5100-5104 doi:10.1063/1.433766
Ihle, H.R., Langenscheidt, E., Zmbova, B. (1977) Determination of the vibration frequency of the high temperature species AuLi by means of matrix isolation spectroscopy. The Journal of Chemical Physics, 66 (11) 5105-5107 doi:10.1063/1.433767
Anderson, Alfred B. (1977) Theory of ultraviolet spectra for Ni2 and Ni3 and hypothesis for argon matrix frequency shifts for Ni atoms. The Journal of Chemical Physics, 66 (11) 5108-5111 doi:10.1063/1.433768
Etters, R. D., Kaelberer, Jaya (1977) On the character of the melting transition in small atomic aggregates. The Journal of Chemical Physics, 66 (11) 5112-5116 doi:10.1063/1.433769
Habitz, Peter, Schwarz, Wilhelm Hans Eugen, Ahlrichs, Reinhart (1977) Model potential calculations for ground and excited states of LiNa. The Journal of Chemical Physics, 66 (11) 5117-5120 doi:10.1063/1.433770
Gatland, I. R., Morrison, W. F., Ellis, H. W., Thackston, M. G., McDaniel, E. W., Alexander, M. H., Viehland, L. A., Mason, E. A. (1977) The Li+–He interaction potential. The Journal of Chemical Physics, 66 (11) 5121-5125 doi:10.1063/1.433771
Copeland, Drew A., Tang, C. L. (1977) On the optimal photon energy for photon‐assisted nonresonant charge exchange. The Journal of Chemical Physics, 66 (11) 5126-5129 doi:10.1063/1.433772
Topiol, Sid, Frost, A. A., Moskowitz, J. W., Ratner, M. A. (1977) A new, simple ab initio pseudopotential for use in FSGO calculations: Application to some lithium compounds. The Journal of Chemical Physics, 66 (11) 5130-5132 doi:10.1063/1.433773
Pembleton, R. G., Wilson, R. C., Gerstein, B. C. (1977) Utility of multiple‐pulse NMR to determine the amorphous fraction of polyethylene. The Journal of Chemical Physics, 66 (11) 5133-5136 doi:10.1063/1.433774
Cafky, James W., Babb, Stanley E. (1977) Dense gas transport calculations. The Journal of Chemical Physics, 66 (11) 5137-5146 doi:10.1063/1.433775
Rowe, J. M., Rush, J. J., Prince, E. (1977) Neutron diffraction study of the structure and phase transitions of alkali cyanide crystals. The Journal of Chemical Physics, 66 (11) 5147-5149 doi:10.1063/1.433776
Miller, Richard G., Hancock, J. K. (1977) V–V energy transfer in H2‐additive gas mixtures using a stimulated Raman vibrational fluorescence technique. The Journal of Chemical Physics, 66 (11) 5150-5158 doi:10.1063/1.433777
Miles, D. O. (1977) Compressional moduli for liquid diphenyl hexachloride. The Journal of Chemical Physics, 66 (11) 5159-5166 doi:10.1063/1.433778
Jafri, Jawed A., Newton, M. D., Pakkanen, Tapani A., Whitten, J. L. (1977) Ab initio configuration interaction studies of the electronic states of S2N2. The Journal of Chemical Physics, 66 (11) 5167-5172 doi:10.1063/1.433779
Husson, E., Repelin, Y., Dao, N. Q., Brusset, H. (1977) Normal coordinate analysis for CaNb2O6of columbite structure. The Journal of Chemical Physics, 66 (11) 5173-5180 doi:10.1063/1.433780
Howard, Robert E., Levy, Mel, Shull, Harrison, Hagstrom, Stanley (1977) Transferability of electron pair wavefunctions. III. A minimal basis strongly orthogonal geminal calculation of the hydrogen peroxide hindered rotation potential. The Journal of Chemical Physics, 66 (11) 5181-5188 doi:10.1063/1.433781
Howard, Robert E., Levy, Mel, Shull, Harrison, Hagstrom, Stanley (1977) Transferability of electron pair wavefunctions. IV. Recreation of the hydrogen peroxide hindered rotation potential. The Journal of Chemical Physics, 66 (11) 5189-5201 doi:10.1063/1.433782
Toburen, L. H., Wilson, W. E. (1977) Energy and angular distributions of electrons ejected from water vapor by 0.3–1.5 MeV protons. The Journal of Chemical Physics, 66 (11) 5202-5213 doi:10.1063/1.433783
Coombe, Robert D., Pritt, A. T. (1977) Electronic to vibrational energy transfer from I*2P1/2 to HF. The Journal of Chemical Physics, 66 (11) 5214-5219 doi:10.1063/1.433784
Schatz, George C. (1977) The generalized cumulant expansion approach to stochastic reductions in molecular collision dynamics: Applications to collisional energy transfer. The Journal of Chemical Physics, 66 (11) 5220-5225 doi:10.1063/1.433785
Jameson, Cynthia J., Jameson, A. Keith, Cohen, Sheila M. (1977) Effect of interactions with nonspherical molecules on129Xe magnetic shielding. The Journal of Chemical Physics, 66 (11) 5226-5230 doi:10.1063/1.433786
Chandler, David, Hsu, C. S., Streett, William B. (1977) Comparisons of Monte Carlo and RISM calculations of pair correlation functions. The Journal of Chemical Physics, 66 (11) 5231-5234 doi:10.1063/1.433787
Mukamel, Shaul, Ross, John (1977) Comment on nonstatistical behavior in laser chemistry and chemical activation. The Journal of Chemical Physics, 66 (11) 5235-5236 doi:10.1063/1.433788
FĂśrster, Horst, Schuldt, Manfred (1977) Infrared active fundamentals of deuterium, nitrogen, and oxygen in zeolitic matrices. The Journal of Chemical Physics, 66 (11) 5237-5238 doi:10.1063/1.433789
Dotan, I., Albritton, D. L. (1977) Mobilities of F−, Cl−, Br−, and I− ions in argon. The Journal of Chemical Physics, 66 (11) 5238-5240 doi:10.1063/1.433750
Klots, Cornelius E. (1977) Studies of Rydberg state reactions. The Journal of Chemical Physics, 66 (11) 5240-5241 doi:10.1063/1.433751
Light, John C. (1977) Adiabatic perturbation approximation for time dependent collision processes. The Journal of Chemical Physics, 66 (11) 5241-5242 doi:10.1063/1.433752
Olsher, Uriel (1977) The electronic absorption spectrum of gaseous pyridine 1800 Å π→π* transition. The Journal of Chemical Physics, 66 (11) 5242-5243 doi:10.1063/1.433753
Close, David M., Bernhard, William A. (1977) INDO calculations of spin density distribution in pyrimidine electron adducts. The Journal of Chemical Physics, 66 (11) 5244-5245 doi:10.1063/1.433754
Swofford, Robert L., Burberry, Mitchell S., Morrell, James A., Albrecht, A. C. (1977) C–H vibrational states of C6D5H and C6F5H in the visible region by thermal lensing spectroscopy. A test of the local mode model. The Journal of Chemical Physics, 66 (11) 5245-5246 doi:10.1063/1.433755
Cederberg, James (1977) The hyperfine spectrum of CsCl by molecular beam electric resonance. The Journal of Chemical Physics, 66 (11) 5247-5248 doi:10.1063/1.433756
Greig, D., Shriver, D. F., Ferraro, J. R. (1977) Pressure dependent Raman spectra of the fast ion conductors Ag2HgI4 and Cu2HgI4. The Journal of Chemical Physics, 66 (11) 5248-5250 doi:10.1063/1.433757
Sears, R. E. J. (1977) Sodium chemical shifts in the sodium halides. The Journal of Chemical Physics, 66 (11) 5250-5252 doi:10.1063/1.433758
Thompson, Alan W., Scott, Allen B. (1977) Trap controlled mobility of photoelectrons in colored KCl. The Journal of Chemical Physics, 66 (11) 5252-5253 doi:10.1063/1.433759
Stevens, Don J., Spicer, Leonard D. (1977) Correlation between the average energy of reaction and system composition in recoil hot reaction studies. The Journal of Chemical Physics, 66 (11) 5253-5255 doi:10.1063/1.433760
Rescigno, T. N. (1977) Orthogonality constraints in electron scattering by open‐shell targets: Comments on a paper by Riley and Truhlar. The Journal of Chemical Physics, 66 (11) 5255-5257 doi:10.1063/1.433761
Pack, Russell T (1977) Further comment on sudden approximations in rotationally inelastic scattering. The Journal of Chemical Physics, 66 (11) 5257-5258 doi:10.1063/1.433762

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