Journal of Chemical Physics
01 Mar 1996, V104, N9
%T Auger electron-ion coincidence experiment on
nitric oxide molecule excited by electron
impact
%A Ettore Fainelli, Francesco Maracci,
Rosario Platania, and Lorenzo Avaldi
%T The solvation reaction field for a hydrogen
atom in a dielectric continuum
%A Daniel M. Chipman
%T Theoretical calculations of zero-temperature
absorption spectra of Li in solid H{_2}
%A E. Cheng and K. Birgitta Whaley
%T Convergence study of multi-configuration time-
dependent Hartree simulations. H{_2} scattering from
LiF(001)
%A A. Capellini and A.P.J. Jansen
%T A localized orbitals based embedded cluster
procedure for modelling chemisorption on
large finite clusters and infinitely ex-
tended surfaces
%A John D. Head and Susil J. Silva
%T Dynamics of SiO desorption in reactive scattering
of O{_2} with a silicon surface
%A Kazutaka G. Nakamura, Isao Kamioka, and
Masahiro Kitajima
%T Microscopic model with temperature-dependent
interactions for the free molecule and for
the trigonal phase of benzil
%A P. Zielinski, M. More, E. Cochon, and
J. Lefebvre
%T Heterogeneously catalyzed hydrolysis of chlorine
nitrate: Fourier-transform-ion-cyclotron-resonance
investigations of stratospheric chemistry
%A Thomas Schindler, Christian Berg,
Gereon Niedner-Schatteburg, and
Vladimir E. Bondybey
%T Relativistic 4-component multi-configurational
self-consistent field theory for molecules:
Formalism
%A Hans Jorgen Aa. Jensen, Kenneth G. Dyall,
Trond Saue, and Knut Faegri, Jr.
%T Analytical derivatives for molecular solutes.
III. Hartree-Fock static polarizability and
hyperpolarizabilities in the polarizable con-
tinuum model
%A Roberto Cammi, Maurizio Cossi, and Jacopo Tomasi
%T Ab initio study of cis-butadiene valence and
Rydberg states using the effective valence
shell Hamiltonian method
%A Sang Yeon Lee and Karl F. Freed
%T Differential cross sections for state specific
reactive scattering of Na-SF{_6} --->NaF-SF{_5}
%A R. Duren, M. Farber, B. Heumann, M. Knepper,
S. Mohr, C. Weiss, S. Te Lintel Hekkert,
A.F. Linskens, and J. Reuss
%T A simple kinetic model of ion production and
loss in the laser excitation of nitric oxide
%A C.T. Kuo, J.L. Hardwick, and J.T. Moseley
%T Structures, thermochemistry, and electron
affinities of the PF{_n} and PF{_n}{^-} series, n=1-6
%A Gregory S. Tschumper, Justin T. Fermann,
and Henry F. Schaefer III
%T Simulation of the charge transfer absorption of
the H{_2}O/O{_2} van der Waals complex using high level
ab initio calculations
%A Ian J. Palmer, William Byers Brown, and
Ian H. Hillier
%T Neutralization and delayed ionization in fulle-
rene surface collisions. Fragmentation and
ionization rates as a route to activation
energies
%A Patrick Weis, Jorg Rockenberger,
Rainer D. Beck, and Manfred M. Kappes
%T Fragmentation of C{_60}{^+} and higher fulle-
renes by surface impact
%A Rainer D. Beck, Jorg Rockenberger,
Patrick Weis, and Manfred M. Kappes
%T Far-infrared spectrum of N{_2} and N{_2}-noble
gas mixtures near 80K
%A E.H. Wishnow, H.P. Gush, and I. Ozier
%T A quantum-classical study of the reaction
OH({nu}{_1},j{_1}) + CO({nu}{_2},j{_2}) --> CO{_2} + H
%A N. Balakrishnan and G.D. Billing
%T State-resolved differential scattering in open-
shell collisions. Cl({^2}P{_3/2} + HCl from high-reso-
lution IR laser Dopplerimetry
%A Zhong-Quan Zhao, William B. Chapman,
and David J. Nesbitt
%T Observation of the {beta}-methylallyl radical
by resonance Raman spectroscopy
%A James D. Getty, Xianming Liu, and
Peter B. Kelly
%T On the accuracy of valence correlation ener-
gies in pseudopotential calculations
%A M. Dolg
%T Vibronic structure of the emission spectra from
single vibronic levels of the S{_1} manifold in
naphthalene-theoretical simulation
%A Fabrizia Negri and Marek Z. Zgierski
%T High-resolution infrared study of the translational
lattice modes in {alpha}-N{_2} single crystals
%A Roberto Bini
%T The {^2}{1/2}{^+} states of HBeO, HMgO and HCaO
%A Jing Kong and Russell J. Boyd
%T Ab initio study of a CO monolayer adsorbed on
the (101{^-}0) surface of ZnO
%A John E. Jaffe and Anthony C. Hess
%T Percolative diffusion of CO during co-oxidation
on Pt(100)
%A M. Tammaro and J.W. Evans
%T Electron correlation effects on the theoretical
calculation of nuclear magnetic resonance spin-
spin coupling constants
%A S. Ajith Perera, Marcel Nooijen, and
Rodney J. Bartlett
%T Dynamic aspects of electronic predissoci-
ation
%A Michael Gronager and Niels Engholm Henriksen
%T Erratum: Extension of Gaussian-2 (G2) theory to
bromine-and iodine-containing molecules. Use of
effective core potentials
[J. Chem. Phys. 103, 1878 (1995)]
%A Mikhail N. Glukhovtsev, Addy Pross,
Mark P. McGrath, and Leo Radom
%T Thermally stimulated desorption of neutral CF{_3}
from CF{_3}I on Ag(111)
%A K.H. Junker, Z.-J. Sun, T.B. Scoggins, and
J.M. White
%T Density functional calculation for doubly
excited autoionizing states of helium
atom
%A Ranbir Singh and B.M. Deb
%T Constant temperature molecular dynamics
simulations by means of a stochastic
collision model. II. The harmonic
oscillator
%A Stefan Michael Kast and Jurgen Brickmann
%T Stark effect and dipole moments of the ammonia
dimer in different vibration-rotation-tunneling
states
%A Gina Cotti, Harold Linnartz, W. Leo Meerts,
Ad van der Avoird, and Edgar H. T. Olthof
%T Crossover of the concentration dependence of swell-
ing and elastic properties for polysiloxane networks
crosslinked in solution
%A Kenji Urayama and Shinzo Kohjiya
%T On the relation between the Wertheim's two-
density integral equation theory for assoc-
iating fluids and Chandler-Silbey-Ladanyi
integral equation theory for site-site
molecular fluids
%A Yu. V. Kalyuzhnyi and P.T. Cummings
%T Phase stability of binary non-additive hard-sphere
mixtures. A self-consistent integral equation study
%A E. Lomba, M. Alvarez, L.L. Lee, and
N.G. Almarza
%T Proton dynamics in supercooled water by
molecular dynamics simulations and quasi-
elastic neutron scattering
%A Daniela Di Cola, Antonio Deriu,
Marco Sampoli, and Alessandro Torcini
%T Monte Carlo simulation of branched and cross-
linked polymers
%A Fernando A. Escobedo and Juan J. de Pablo
%T Small angle neutron scattering near the wetting
transition. Discrimination of microemulsions
from weakly structured mixtures
%A M. Gradzielski, D. Langevin, T. Sottmann,
and R. Strey
%T Kinetic laws at the collapse transition of a
homopolymer
%A Yu. A. Kuznetsov, E.G. Timoshenko, and
K.A. Dawson
%T Spin dynamics under the Hamiltonian varying with
time in discrete steps. Molecular dynamics-based
simulation of electron and nuclear spin relaxation
in aqueous nickel(II)
%A Michael Odelius, Carl Ribbing, and
Jozef Kowalewski
%T Solvent effect on conformational equilibrium.
A Monte Carlo study of 1,2-dichloroethane in
carbon tetrachloride
%A Eudald Vilaseca