Journal of Chemical Physics, 1998, V108, N12, 22 Mar.
%T Density functional calculations of molecular hyper-
fine interactions in the zero order regular approxi-
mation for relativistic effects
%A Erik van Lenthe, Ad van der Avoird, and
Paul E.S. Wormer
%T A quantum mechanical description of vibrational
motion in benzene in terms of a completely
symmetrized set of complex vibrational
coordinates and wavefunctions
%A S. Rashev, M. Stamova, and S. Djambova
%T A systematic study of basis set, electron corre-
lation and geometry effects on the electric mul-
tipole moments, polarizability and hyperpolari-
zability of HCl
%A George Maroulis
%T UV-induced desorption of CH{_3}X(X=1 and Br)/
TiO{_2}(110)
%A Seong Han Kim, Peter C. Stair, and
Eric Weitz
%T Accurate quantum calculations of thermal rate
constants employing MCTDH: H{_2} + OH --> H + H{_2}O
and D{_2} + OH --> D + DOH
%A Frank Matzkies and Uwe Manthe
%T Total differential cross sections for Ar-CH{_4}
from an ab initio potential
%A Tino G.A. Heijmen, Robert Moszynski,
Paul E.S. Wormer, Ad van der Avoird,
Udo Buck, Christof Steinbach, and Jeremy M. Hutson
%T Monte Carlo simulations of the adsorption of
potassium on a Cu(111) surface
%A Luis Padilla-Campos and Alejandro Toro-Labbe
%T Brillioun-Wigner based multi-reference perturbation
theory for electronic correlation effects
%A Wolfgang Wenzel and Matthew M. Steiner
%T Use of Moller-Plesset perturbation theory in mole-
cular calcualtions. Spectroscopic constants of first row
diatomic molecules
%A Thom H. Dunning, Jr. and Kirk A. Peterson
%T Symmetry-adapted perturbation theory of three-
body nonadditivity in Ar{_2}HF trimer
%A Victor F. Lotrich, Piotr Jankowski, and
Krzysztof Szalewicz
%T High resolution ZEKE-PFI photoelectron spectra
of the Na(H{_2}O) complex
%A Kwanghsi Wang, David A. Rodham, Vincent McKoy,
and Geoffrey A. Blake
%T Light emission during the agglomeration of silver
clusters in noble gas matrices
%A I. Rabin, W. Schulze, and G. Ertl
%T On the chemical mechanism of surface enhanced Raman
scattering. Experiment and theory
%A Patanjali Kambhampati, C.M. Child,
Michelle C. Foster, and Alan Campion
%T Six-dimensional quantum calculations of
vibration-rotation-tunneling levels of
{nu}{_1} and {nu}{_2} HCl-stretching excited
(HCl){_2}
%A Yanhui Qiu, John Z.H. Zhang, and
Zlatko Bacic
%T Erratum: Depolarized dynamic light scattering
fromm three low molecular weight glass forming
liquids. A test of the scattering mechanism
[J. Chem. Phys. 106, 8401 (1997)]
%A A. Patkowski, W. Steffen, H. Nilgens,
E.W. Fischer, and R. Pecora
%T First principles study of adsorbed Cu{_n} (n=1-4)
microclusters on MgO(100). Structural and
electronic properties
%A V. Musolino, A. Selloni, and R. Car
%T A low-field paramagnetic nuclear spin relaxation
theory
%A Per-Olof Westlund
%T An approximate formula for the intermolecular Pauli
repulsion between closed shell molecules. II. Ap-
plication to the effective fragment potential method
%A Jan H. Jensen and Mark S. Gordon
%T The vibrational relaxation of I{_2} (X {^1}{SIGMA}{^+}{_g}) in
mesitylene
%A H.J. Liu, Stuart H. Pullen, Larry A. Walker II,
and Roseanne J. Sension
%T Nonequilibrium transport in isomerization dynamics
of Ar{_7}-like molecules in liquid-like phase
%A Chihiro Seko and Kazuo Takatsuka
%T Positronium chemistry by quantum Monte Carlo. I.
Positronium-first row atom complexes
%A Dario Bressanini, Massimo Mella, and
Gabriele Morosi
%T Dissociative electron attachment in nanoscale
ice films. Thickness and charge trapping
effects
%A W.C. Simpson, T.M. Orlando, L. Parenteau,
K. Nagesha, and L. Sanche
%T Two dimensional treatment of the methyl and
aldehydic torsions in gas phase propanal
%A A. Vivier-Bunge, V.H. Uc, and Y.G. Smeyers
%T Fermi resonance distortion of the Ru-CO stretching
mode of CO adsorbed on Ru(001)
%A P. Jakob
%T Rate coefficients for the reaction and relaxation
of vibrationally excited H{_2}O (|04>{^-}) with H atoms
and H{_2}O
%A Giles Hawthorne, Paul Sharkey, and
Ian W.M. Smith
%T Exact exchange in ab initio molecular dynamics.
An efficient plane-wave based algorithm
%A Sanjay Chawla and Gregory A. Voth
%T Rotationally resolved photoelectron study of O{_2}.
Identification of the vibrational progressions
for O{_2}{^+}(2{^2}{PI}{_u},{^2}{SIGMA}{_u}) at 19.6-21.0 eV
%A C.-W. Hsu, M. Evans, S. Stimson, and C.Y. Ng
%T Vibrational energy relaxation, non-polar
solvation dynamics and instantaneous normal
modes. Role of binary interaction in the
ultrafast response of a dense liquid
%A Ranjit Biswas, Sarika Bhattacharyya, and
Biman Bagchi
%T A comparison of density functional and
integral equation theories versus Monte
Carlo simulations for hard sphere assoc-
iating fluids near a hard wall
%A Chad J. Segura, Eduard V. Vakarin,
Walter G. Chapman, and M.F. Holovko
%T Semiclassical theory of vibrational energy
relaxation
%A Robert Karrlein and Hermann Grabert
%T Photo-induced electron transfer in mixed-valence
compounds: Beyond the Golden Rule regime
%A D.G. Evans, A. Nitzan, and M.A. Ratner
%T In situ studies of thiol self-assembly
on gold from solution using atomic
force microscopy
%A Song Xu, Sylvian Cruchon-Dupeyrat,
Jayne C. Garno, Gang-Yu Liu,
G. Kane Jennings, Tseh-Hwan Yong,
and Paul E. Laibinis
%T Stress relaxation in a diatomic liquid
%A R.C. Picu and J.H. Weiner
%T Charge transfer and polymer phases in AC{_60}
(A = K, Rb, Cs) fullerides
%A Alexander V. Nikolaev, Kosmas Prassides,
and Karl H. Michel
%T Non-ergodic quasi-equilibrium in NMR of
infinite linear spin-1/2 chains
%A Edward B. Fel'dman and Serge Lacelle
%T Exciton superradiance in aggregates. The effect
of disorder, higher order exciton-phonon coupling
and dimensionality
%A Eric O. Potma and Douwe A. Wiersma
%T An association theory for the formation of ion
oligomers. Extensions from the low density limit
%A Thomas Kraska
%T Thermodynamic stability and negative thermal ex-
pansion of hexagonal and cubic ices
%A Hideki Tanaka
%T A quantitative theory of linear chain polymer
dynamics in the melt. IV. Comparison with
experimental diffusion constant data
%A Biliana V. Panajotova and Michael F. Herman
%T Brownian dynamics simulation of diffusion-
limited polymerization of rodlike molecules.
Anisotropic translational diffusion
%A J. Srinivasalu Gupta and D.V. Khakar
%T Constructing ab initio force fields for
molecular dynamics simulations
%A Yi-Ping Liu, Kyungsun Kim, B.J. Berne,
Richard A. Friesner, and Steven W. Rick
%T Quantum Monte Carlo simulations of the structure
in the liquid-vapor interface of BiGa binary alloys
%A Meishan Zhao, Dimitry Chekmarev, and
Stuart A. Rice
%T Theoretical study for water structure at highly
ordered surface. Effect of surface structure
%A Ryo Akiyama and Fumio Hirata
%T Phase transitions in two-dimensional monolayer
films on the (110) FCC crystal surface
%A A. Patrykiejew, S. Sokolowski,
T. Zientarski, and K. Binder
%T Polydisperse solution of randomly branched
homopolymers, inversion symmetry and critical
and theta states
%A P.D. Gujrati
%T A binary mixture of monodisperse polymers of
fixed architectures, and the critical and
the theta states
%A P.D. Gujrati
%T Far-infrared spectra and associated dynamics in
acetonitrile-water mixtures measured with fem-
tosecond THz pulse spectroscopy
%A D.S. Venables and C.A. Schmuttenmaer
%T Structure and dynamics of ring polymers
%A Scott Brown and Grzegorz Szamel