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(1987, July) The Journal of Chemical Physics Vol. 87 (1) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year1987 (July)Volume87
Issue1   >
PublisherAIP Publishing
Mindat Ref. ID2166376Long-form Identifiermindat:1:5:2166376:5
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Full Reference(1987, July) The Journal of Chemical Physics Vol. 87 (1) AIP Publishing
Plain Text(1987, July) The Journal of Chemical Physics Vol. 87 (1) AIP Publishing
In(1987) The Journal of Chemical Physics Vol. 87. AIP Publishing

Contains

Anderson, Michael W., Kevan, Larry (1987) Assessment of the spherical‐averaging approximation for the interpretation of electron spin‐echo modulation for cupric ion complexes. The Journal of Chemical Physics, 87 (1). 1-6 doi:10.1063/1.453615
Berg, John M., Chien, Ring‐Ling, McClure, Donald S. (1987) One‐ and two‐photon spectroscopy of the 3Eg state of NaF:Cu+: Observation and analysis of vibronic fine structure. The Journal of Chemical Physics, 87 (1). 7-19 doi:10.1063/1.453528
Conn, K. G., Beckmann, P. A., Mallory, C. W., Mallory, F. B. (1987) Methyl reorientation in methylphenanthrenes. I. Solid state proton spin–lattice relaxation in the 3‐methyl, 9‐methyl, and 3,9‐dimethyl systems. The Journal of Chemical Physics, 87 (1). 20-27 doi:10.1063/1.453617
Falk, Michael (1987) On the satellite bands accompanying the OH and OD stretching fundamentals of isotopically dilute HDO in ice Ih. The Journal of Chemical Physics, 87 (1). 28-30 doi:10.1063/1.453626
Goelman, G., Zax, D. B., Vega, S. (1987) Observation of three‐photon resonances in NMR under four‐field irradiation. The Journal of Chemical Physics, 87 (1). 31-44 doi:10.1063/1.453630
Heinze, J., SchĂŒhle, U., Engelke, F., Caldwell, C. D. (1987) Doppler‐free polarization spectroscopy of the B 1Πu –X 1ÎŁ+g band system of K2. The Journal of Chemical Physics, 87 (1). 45-53 doi:10.1063/1.453591
Hsu, D., Skinner, J. L. (1987) Nonperturbative theory of temperature‐dependent optical dephasing in crystals. IV. Microscopic model for pseudolocal phonons. The Journal of Chemical Physics, 87 (1). 54-59 doi:10.1063/1.453603
Judge, R. H., Moule, D. C., Bruno, A. E., Steer, R. P. (1987) Thiocarbonyl spectroscopy: Methyl torsional vibrations and internal rotational barriers of thioacetaldehyde in its ã 3A‘ and X̃ 1A’ states. The Journal of Chemical Physics, 87 (1). 60-67 doi:10.1063/1.453554
Kaliaperumal, R., Sears, R. E. J., Finch, C. B. (1987) 19F shielding anisotropy in RbCaF3. The Journal of Chemical Physics, 87 (1). 68-72 doi:10.1063/1.453565
Kanamori, Hideto, Seki, Kanekazu, Hirota, Eizi (1987) Infrared diode laser kinetic spectroscopy of the CCH radical Μ3 band. The Journal of Chemical Physics, 87 (1). 73-76 doi:10.1063/1.453571
Khundkar, Lutfur R., Knee, Joseph L., Zewail, Ahmed H. (1987) Picosecond photofragment spectroscopy. I. Microcanonical state‐to‐state rates of the reaction NCNO→CN+NO. The Journal of Chemical Physics, 87 (1). 77-96 doi:10.1063/1.453527
Scherer, Norbert F., Zewail, Ahmed H. (1987) Picosecond photofragment spectroscopy. II. The overtone initiated unimolecular reaction H2O2(vOH=5)→2OH. The Journal of Chemical Physics, 87 (1). 97-114 doi:10.1063/1.453529
Knee, Joseph L., Khundkar, Lutfur R., Zewail, Ahmed H. (1987) Picosecond photofragment spectroscopy. III. Vibrational predissociation of van der Waals’ clusters. The Journal of Chemical Physics, 87 (1). 115-127 doi:10.1063/1.453608
Mukherjee, P., Kwok, H. S. (1987) Dynamical temporal evolution of molecular IR absorption spectra observed with picosecond CO2 laser pulses. The Journal of Chemical Physics, 87 (1). 128-138 doi:10.1063/1.453609
Nelson, D. D., Klemperer, W. (1987) Classification of the tunneling‐rotational energy levels of ammonia dimer in the molecular symmetry group. The Journal of Chemical Physics, 87 (1). 139-149 doi:10.1063/1.453707
Reinisch, L., Schomacker, K. T., Champion, P. M. (1987) Anomalous resonance enhanced quasielastic light scattering of cytochrome‐c. The Journal of Chemical Physics, 87 (1). 150-158 doi:10.1063/1.453610
Rogers, S. A., Brazier, C. R., Bernath, P. F. (1987) The infrared spectrum of XeH+. The Journal of Chemical Physics, 87 (1). 159-162 doi:10.1063/1.453611
Rosenkranz, P. W. (1987) Pressure broadening of rotational bands. II. Water vapor from 300 to 1100 cm−1. The Journal of Chemical Physics, 87 (1). 163-170 doi:10.1063/1.453739
Schaefer, Joachim, Monchick, Louis (1987) Line shape cross sections of HD immersed in HE and H2 gas. I. Pressure broadening cross sections. The Journal of Chemical Physics, 87 (1). 171-181 doi:10.1063/1.453612
van Herpen, W. M., Meerts, W. Leo, Dymanus, A. (1987) Rotationally resolved laser spectroscopy of tetracene and its van der Waals complexes with inert gas atoms. The Journal of Chemical Physics, 87 (1). 182-190 doi:10.1063/1.453613
Geiger, Lynn C., Ladanyi, Branka M. (1987) Higher order interaction‐induced effects on Rayleigh light scattering by molecular liquids. The Journal of Chemical Physics, 87 (1). 191-202 doi:10.1063/1.453614
Aker, P. M., Niefer, B. I., Sloan, J. J., Heydtmann, H. (1987) The dynamics and microscopic kinetics of the reactions of O(1D2) atoms with CHCl3 and CHF3. The Journal of Chemical Physics, 87 (1). 203-209 doi:10.1063/1.453616
Boissonade, J., De Kepper, P. (1987) A comprehensive interpretation of mixing effects on stationary states and dynamical behavior of the bistable ClO−2–I− reaction in a flow reactor. The Journal of Chemical Physics, 87 (1). 210-218 doi:10.1063/1.453618
Bras, N., Jeannet, J. C., Perrin, D. (1987) The reaction of Hg(6 3P1)+H2, D2, and HD: Product rotational and vibrational distributions; isotope effects. The Journal of Chemical Physics, 87 (1). 219-223 doi:10.1063/1.453619
Braunstein, M., McKoy, V. (1987) Shape resonances in the photoionization of N2O. The Journal of Chemical Physics, 87 (1). 224-228 doi:10.1063/1.453620
Bréchignac, C., Cahuzac, Ph., Roux, J. Ph. (1987) Photoionization of potassium clusters: Neutral and ionic cluster stabilities. The Journal of Chemical Physics, 87 (1). 229-238 doi:10.1063/1.453621
Danielson, Laurie J., McLeod, Karen M., Keil, Mark (1987) Damping of total differential cross sections: Observations and empirical anisotropic potentials for HeC2H2 and HeOCS. The Journal of Chemical Physics, 87 (1). 239-248 doi:10.1063/1.453740
Dietz, W., Fischer, S. F. (1987) Model studies for rovibronic IVR with applications to benzene. The Journal of Chemical Physics, 87 (1). 249-259 doi:10.1063/1.453622
Hanley, Luke, Ruatta, Stephen A., Anderson, Scott L. (1987) Collision‐induced dissociation of aluminum cluster ions: Fragmentation patterns, bond energies, and structures for Al+2–Al+7. The Journal of Chemical Physics, 87 (1). 260-268 doi:10.1063/1.453623
Jacobson, Benjamin A., Guest, Joyce A., Novak, Frank A., Rice, Stuart A. (1987) Systematic features of the energy dependence of radiationless processes in large molecules: The substituted naphthalenes. The Journal of Chemical Physics, 87 (1). 269-283 doi:10.1063/1.453624
Martens, Craig C., Ezra, Gregory S. (1987) Classical, quantum mechanical, and semiclassical representations of resonant dynamics: A unified treatment. The Journal of Chemical Physics, 87 (1). 284-302 doi:10.1063/1.453625
O’Halloran, Maureen A., Joswig, Hellmut, Zare, Richard N. (1987) Alignment of CN from 248 nm photolysis of ICN: A new model of the à continuum dissociation dynamics. The Journal of Chemical Physics, 87 (1). 303-313 doi:10.1063/1.453627
Orel, A. E. (1987) Nascent vibrational/rotational distribution produced by hydrogen atom recombination. The Journal of Chemical Physics, 87 (1). 314-318 doi:10.1063/1.453628
Ramanan, G., Freeman, G. R. (1987) Electron thermalization distances and free ion yields in liquid nitrogen from 77 K to nearTc. The Journal of Chemical Physics, 87 (1). 319-324 doi:10.1063/1.453629
Sekiya, Hiroshi, Tsuji, Masaharu, Nishimura, Yukio (1987) Optical study of the He++N2charge transfer reaction in a flowing afterglow and in a low‐pressure chamber coupled with flowing afterglow. The Journal of Chemical Physics, 87 (1). 325-330 doi:10.1063/1.453631
Sobolewski, A. L. (1987) Resonances in molecular photoionization. II. Autoionization effects in the NO molecule. The Journal of Chemical Physics, 87 (1). 331-338 doi:10.1063/1.453632
Sun, Y., Mowrey, R. C., Kouri, D. J. (1987) Spherical wave close coupling wave packet formalism for gas phase nonreactive atom–diatom collisions. The Journal of Chemical Physics, 87 (1). 339-349 doi:10.1063/1.453633
Gerlich, D., Disch, R., Scherbarth, S. (1987) C++H2( j)→CH++H: The effect of reagent rotation on the integral cross section in the threshold region. The Journal of Chemical Physics, 87 (1). 350-359 doi:10.1063/1.453580
Bigio, Laurence, Grant, Edward R. (1987) Two‐photon photodissociation dynamics of state‐selected NO2. The Journal of Chemical Physics, 87 (1). 360-369 doi:10.1063/1.453581
Ågren, Hans, Carravetta, Vincenzo (1987) A Stieltjes imaging method for molecular shake‐off continua. Application to the core photoelectron spectrum of water. The Journal of Chemical Physics, 87 (1). 370-380 doi:10.1063/1.453582
Anno, Tosinobu, Teruya, Hirohide (1987) Relation between theZ−1type expansion of the total energy of isoelectronic atoms and the many‐electron theory on the electron correlation by Sinanoǧlu. The Journal of Chemical Physics, 87 (1). 381-386 doi:10.1063/1.453583
Bauschlicher, Charles W., Langhoff, Stephen R., Taylor, Peter R. (1987) On the1A1–3B1separation in CH2and SiH2. The Journal of Chemical Physics, 87 (1). 387-391 doi:10.1063/1.453738
Blair, John T., Weisshaar, James C., Carpenter, John E., Weinhold, Frank (1987) Photodissociation of (CO)+2: Theoretical studies of ground 2Bu and excited 2Bg potential energy surfaces. The Journal of Chemical Physics, 87 (1). 392-410 doi:10.1063/1.453584
Čársky, Petr, Schaad, Lawrence J., Hess, B. Andes, Urban, Miroslav, Noga, Jozef (1987) Use of molecular symmetry in coupled‐cluster theory. The Journal of Chemical Physics, 87 (1). 411-415 doi:10.1063/1.453585
Cummins, Peter L., Bacskay, George B., Hush, Noel S. (1987) The prediction of nuclear quadrupole moments fromabinitioquantum chemical studies on small molecules. II. The electric field gradients at the17O,35Cl, and2H nuclei in CO, NO+, OH−, H2O, CH2O, HCl, LiCl, and FCl. The Journal of Chemical Physics, 87 (1). 416-423 doi:10.1063/1.453586
Cooper, David L., Kirby, Kate (1987) Theoretical study of low‐lying 1Σ+ and 1Π states of CO. I. Potential energy curves and dipole moments. The Journal of Chemical Physics, 87 (1). 424-432 doi:10.1063/1.453587
Doren, D. J., Herschbach, D. R. (1987) Two‐electron atoms near the one‐dimensional limit. The Journal of Chemical Physics, 87 (1). 433-442 doi:10.1063/1.453588
Förner, Wolfgang, Seel, Max (1987) A coupled cluster study of the stability of lithium clusters. The Journal of Chemical Physics, 87 (1). 443-450 doi:10.1063/1.453589
Jensen, Hans Jo/rgen Aa., Jo/rgensen, Poul, Ågren, Hans (1987) Efficient optimization of large scale MCSCF wave functions with a restricted step algorithm. The Journal of Chemical Physics, 87 (1). 451-466 doi:10.1063/1.453590
Kaldor, Uzi (1987) The open‐shell coupled‐cluster method: Excitation energies and ionization potentials of H2O. The Journal of Chemical Physics, 87 (1). 467-471 doi:10.1063/1.453592
Lazzeretti, P., Zanasi, R. (1987) Electromagnetic nuclear shielding tensors and their relation to other second‐order properties. A study of the methane molecule. The Journal of Chemical Physics, 87 (1). 472-480 doi:10.1063/1.453593
Pettersson, Lars G. M., Bauschlicher, Charles W., Langhoff, Stephen R., Partridge, Harry (1987) Positive ions of the first‐ and second‐row transition metal hydrides. The Journal of Chemical Physics, 87 (1). 481-492 doi:10.1063/1.453594
Portmann, Pius, Maruizumi, Takuya, Welti, Martin, Badertscher, Martin, Neszmelyi, Andras, Simon, Wilhelm, Pretsch, Ernö (1987) Pair potentials for the interaction energy of Li+, Na+, K+, and NH+4with organic molecules. The Journal of Chemical Physics, 87 (1). 493-501 doi:10.1063/1.453595
Salter, E. A., Sekino, Hideo, Bartlett, Rodney J. (1987) Property evaluation and orbital relaxation in coupled cluster methods. The Journal of Chemical Physics, 87 (1). 502-509 doi:10.1063/1.453596
Schwerdtfeger, P., Szentpály, L. V., Stoll, H., Preuss, H. (1987) Relativistic pseudopotential calculations for HBr+, HBr, HBr−, HI+, HI, and HI−. The Journal of Chemical Physics, 87 (1). 510-513 doi:10.1063/1.453597
Tonachini, Glauco, Schlegel, H. Bernhard (1987) Hartree–Fock energy derivatives with respect to basis set exponents. Integral derivatives using Rys polynomials. The Journal of Chemical Physics, 87 (1). 514-519 doi:10.1063/1.453598
Piñeiro, A. Lopez, Moreno, B. (1987) Matrix elements for rotating Morse oscillators using the Elsum and Gordon approximations. The Journal of Chemical Physics, 87 (1). 520-525 doi:10.1063/1.453599
Sokalski, W. A., Sawaryn, A. (1987) Correlated molecular and cumulative atomic multipole moments. The Journal of Chemical Physics, 87 (1). 526-534 doi:10.1063/1.453600
Rendell, Alistair P. L., Bacskay, George B., Hush, Noel S. (1987) An ab initio quantum chemical study of the hydrogen‐ and ‘‘anti’’‐hydrogen‐bonded HF/ClF and HF/Cl2 dimers. The Journal of Chemical Physics, 87 (1). 535-544 doi:10.1063/1.453601
Beck, Thomas L., Jellinek, Julius, Berry, R. Stephen (1987) Rare gas clusters: Solids, liquids, slush, and magic numbers. The Journal of Chemical Physics, 87 (1). 545-554 doi:10.1063/1.453602
Blum, L., Wei, D. Q. (1987) Analytical solution of the mean spherical approximation for an arbitrary mixture of ions in a dipolar solvent. The Journal of Chemical Physics, 87 (1). 555-565 doi:10.1063/1.453604
Brown, W. Byers (1987) Analytical representation of the excess thermodynamic equation of state for classical fluid mixtures of molecules interacting with α‐exponential‐six pair potentials up to high densities. The Journal of Chemical Physics, 87 (1). 566-577 doi:10.1063/1.453605
Dorion, P., Lalanne, J. R., Pouligny, B., Imaizumi, S., Garland, C. W. (1987) Thermal diffusion measurements near a critical end point in a microemulsion system. The Journal of Chemical Physics, 87 (1). 578-588 doi:10.1063/1.453606
Kataoka, Yosuke (1987) Studies of liquid water by computer simulations. V. Equation of state of fluid water with Carravetta–Clementi potential. The Journal of Chemical Physics, 87 (1). 589-598 doi:10.1063/1.453607
Lai, S. K., Wang, S., Wang, K. P. (1987) A computer ‘‘experiment’’ on the microstructure of amorphous Cr. The Journal of Chemical Physics, 87 (1). 599-603 doi:10.1063/1.453552
Ludwig, K. F., Warburton, W. K., Wilson, Lane, Bienenstock, A. I. (1987) Liquid GeBr4. I. A test of the anomalous x‐ray scattering method as applied to disordered materials. The Journal of Chemical Physics, 87 (1). 604-612 doi:10.1063/1.453553
Ludwig, K. F., Wilson, Lane, Warburton, W. K., Bienenstock, A. I. (1987) Liquid GeBr4. II. Molecular packing and liquid structure. The Journal of Chemical Physics, 87 (1). 613-619 doi:10.1063/1.453555
Ludwig, K. F., Warburton, W. K., Fontaine, Alain (1987) X‐ray studies of concentrated aqueous solutions. The Journal of Chemical Physics, 87 (1). 620-629 doi:10.1063/1.453556
Meakin, Paul, Chen, Zhong‐Ying, Evesque, Pierre (1987) Aggregation of anisotropic particles. The Journal of Chemical Physics, 87 (1). 630-635 doi:10.1063/1.453557
Suck Salk, S. H., Lutrus, C. K. (1987) An effective Hamiltonian study of molecular clusters. The Journal of Chemical Physics, 87 (1). 636-642 doi:10.1063/1.453558
Sung, Wokyung, Friedman, Harold L. (1987) The microscopic theory of the Hall effect in ionic solutions. I. General formulation and the Brownian ion‐continuum solvent limit. The Journal of Chemical Physics, 87 (1). 643-653 doi:10.1063/1.453559
Wahlbeck, P. G. (1987) Mass spectrometry of and standard enthalpies of formation of gaseous sodium tetrachloroaluminate and its dimer. The Journal of Chemical Physics, 87 (1). 654-659 doi:10.1063/1.453560
Walker, T. G., Bonin, K. D., Happer, W. (1987) Modulation technique for measuring diffusion coefficients of Ba in noble gases. The Journal of Chemical Physics, 87 (1). 660-663 doi:10.1063/1.453561
Honnell, K. G., Hall, C. K., Dickman, R. (1987) On the pressure equation for chain molecules. The Journal of Chemical Physics, 87 (1). 664-674 doi:10.1063/1.453562
Hooper, Malcolm A., Nordholm, Sture (1987) Generalized van der Waals analysis of critical drops and cavities in simple fluids. The Journal of Chemical Physics, 87 (1). 675-686 doi:10.1063/1.453563
van Well, A. A., de Schepper, I. M., Verkerk, P., Huijts, R. A. (1987) Depolarized light scattering and neutron scattering spectra for noble gas fluids. The Journal of Chemical Physics, 87 (1). 687-696 doi:10.1063/1.453564
Fredrickson, Glenn H., Helfand, Eugene (1987) Fluctuation effects in the theory of microphase separation in block copolymers. The Journal of Chemical Physics, 87 (1). 697-705 doi:10.1063/1.453566
Heidel, Barbara, Findenegg, Gerhard H. (1987) Ellipsometric study of critical adsorption at the surface of a polymer solution: Evidence for a slowly decaying interfacial profile. The Journal of Chemical Physics, 87 (1). 706-713 doi:10.1063/1.453567
Kalus, J., Hoffman, H. (1987) Nearest neighbor order in an aligned solution of interacting rod‐like micelles. The Journal of Chemical Physics, 87 (1). 714-722 doi:10.1063/1.453568
Lee, M. B., Beckerle, J. D., Tang, S. L., Ceyer, S. T. (1987) Lack of translational energy activation of the dissociative chemisorption of CO on Ni(111). The Journal of Chemical Physics, 87 (1). 723-730 doi:10.1063/1.453569
Meakin, Paul, Scalapino, Douglas J. (1987) Simple models for heterogeneous catalysis: Phase transition‐like behavior in nonequilibrium systems. The Journal of Chemical Physics, 87 (1). 731-741 doi:10.1063/1.453570
Schwankner, R. J., Eiswirth, M., Möller, P., Wetzl, K., Ertl, G. (1987) Kinetic oscillations in the catalytic CO oxidation on Pt(100): Periodic perturbations. The Journal of Chemical Physics, 87 (1). 742-749 doi:10.1063/1.453572
Villarrubia, J. S., Ho, W. (1987) Nitric oxide adsorption, decomposition, and desorption on Rh(100). The Journal of Chemical Physics, 87 (1). 750-764 doi:10.1063/1.453573
Young, Ralph H. (1987) Electromagnetic field of a two‐dimensional molecular aggregate. The Journal of Chemical Physics, 87 (1). 765-769 doi:10.1063/1.453574
Rettner, C. T., Stein, H. (1987) Effect of vibrational energy on the dissociative chemisorption of N2 on Fe(111). The Journal of Chemical Physics, 87 (1). 770-771 doi:10.1063/1.453575
Montgomery, J. A., Michels, H. H. (1987) On the structure of the ground state of H+6. The Journal of Chemical Physics, 87 (1). 771-773 doi:10.1063/1.453576
Taylor, D. R. (1987) Cooperative ordering of ammonium ions in NH4ReO4: A pseudospin model. The Journal of Chemical Physics, 87 (1). 773-774 doi:10.1063/1.453577
Hamilton, Ian (1987) Vibrational spacings for H+3. The Journal of Chemical Physics, 87 (1). 774-776 doi:10.1063/1.453578
Kaneko, K., Fukuzaki, N., Ozeki, S. (1987) The concentrated NO dimer in micropores above room temperature. The Journal of Chemical Physics, 87 (1). 776-777 doi:10.1063/1.453579
BrĂŒhlmann, U., Dubs, M., Huber, J. Robert (1987) Erratum: Photodissociation of methylnitrite: State distributions, recoil velocity distribution, and alignment effects of the NO(X 2Π) photofragment [J. Chem. Phys. 86, 1249 (1987)]. The Journal of Chemical Physics, 87 (1). 777 doi:10.1063/1.453756
Golab, Joseph T., Thies, Brenda S., Yeager, Danny L., Nichols, Jeffrey A. (1987) Erratum: The ionization potentials of F2: A comparison of multiconfigurational electron propagator (MCEP) with other large scale methods using the same basis set [J. Chem. Phys. 84, 284 (1986)]. The Journal of Chemical Physics, 87 (1). 778 doi:10.1063/1.453757

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