Journal of Chemical Physics
01 Dec 1997, V107, N21.
%T On the ethene/HCl van der Waals complexes observed
in liquefied argon and liquefied nitrogen
%A W.A. Herrebout, G.P. Everaert,
B.J. van der Veken, and M.O. Bulanin
%T Dual pathway of carbon cluster formation in the
laser vaporization
%A T. Moriwaki, K. Kobayashi, M Osaka, M. Ohara,
H. Shiromaru, and Y. Achiba
%T The influence of surface motion on the direct
subsurface absorption of H{_2} on Pd(111)
%A R.A. Olsen, G.J. Kroes, O.M. Lovvik,
and E.J. Baerends
%T Cross-polarization efficiency in I{_N}S systems using
adiabatic RF sweeps
%A P. Hodgkinson and A. Pines
%T Zero-field electron magnetic resonance spectra
of copper carboxylates
%A Christopher D. Delfs and Richard Bramley
%T Quantum theory of four-atom reactions using arrange-
ment channel hyperspherical coordinate. Formulation
and application to OH + H{_2} <--> H{_2}O + H
%A Sergei Pogrebnya, Julian Echave, and
David C. Clary
%T Conrotatory and disrotatory pathways in the elec-
trocyclic isomerization of cyclobutene to cis-
butadiene. The spin-coupled viewpoint
%A J.M. Oliva, J. Gerratt, P.B. Karadakov,
and D.L. Cooper
%T On the A and B electronic states of NCO and its
clusters with nonpolar solvents
%A Jianlong Yao, Jose A. Fernandez, and
Elliot R. Bernstein
%T Hermiticity of the Hamiltonian matrix in a
discrete variable representation
%A Inbal Tuvi and Y.B. Band
%T Dissociative electron attachment cross section
to CHCl{_3} using a high resolution crossed beams tech-
nique
%A S. Matejcik, G. Senn, P. Scheier,
A. Kiendler, A. Stamatovic, and T.D. Mark
%T Molecular structure, vibrational frequencies and
energetics of the HOCO{^+} ion
%A Joseph S. Francisco
%T Time- and frequency-domain properties of light
emitted in slow ion-atom collisions
%A Herbert F.M. DaCosta, David A. Micha, and
Keith Runge
%T Hyperpolarizability depolarization ratios of nitro-
anilines
%A Patrick Norman, Yi Luo, Dan Jonsson,
Hans Agren, Kristian O. Sylvester-Hvid,
and Kurt V. Mikkelsen
%T Polarized atomic orbitals for self-consistent
field electronic structure calculations
%A Michael S. Lee and Martin Head-Gordon
%T Bond-selective dissociation of alkanethiol based
self-assembled monolayers adsorbed on gold sub-
strates, using low-energy electron beams
%A C.O. Olsen and P.A. Rowntree
%T Photoionization efficiency spectrum and ioniza-
tion energy of C{_2}H{_5}SO
%A Bing-Ming Cheng, Wen-Ching Hung, Wei-Chen Chen,
Chin-hui Yu, and Yuan-Pern Lee
%T Very large amplitude intermolecular vibrations and
wave function delocalization in 2,3-dimethylnaph-
thalene{^.}He van der Waals complex
%A Andreas Bach, Samuel Leutwyler,
Dbravko Sabo, and Zlatko Bacic
%T Spin-restricted open-shell coupled-cluster theory
%A Peter G. Szalay and Jurgen Gauss
%T H{_2}S adsorption on chromium, chromia and gold/chromia
surfaces. Photoemission studies
%A J.A. Rodriguez, S. Chaturvedi, M. Kuhn,
J. van Ek, U. Diebold, P.S. Robbert,
H.. Geisler, and C.A. Ventrice, Jr.
%T A pairwise and two many-body models for water.
Influence of nonpairwise effects upon the
stability and geometry of (H{_2}O) cyclic
(n=3-6) and cage-like (n=6-8-10-20) clusters
%A Michel Masella and Jean Pierre Flament
%T Degenerate four-wave mixing and photofragment
yield spectroscopic study of jet-cooled SO{_2}
in the C{^} {^1}B{_2} state. Internal conversion
followed by dissociation in the X{^} state
%A Akihiro Okazaki, Takayuki Ebata, and
Naohiko Mikami
%T The visible emission and absorption spectrum of
C{_60}
%A A. Sassara, G. Zerza, M. Chergui, F. Negri
and G. Orlandi
%T Raman spectroscopy of the N-C-O symmetric ({nu}{_3})
and antisymmetric ({nu}{_2}) stretch fundamentals in
HNCO
%A Steven S. Brown, H. Laine Berghout, and
F. Fleming Crim
%T The electronic excited states of H{_2}CSi
%A Randall K. Hilliard and Roger S. Grev
%T Jet spectroscopy, structure, anomalous fluores-
cence and molecualr quantum beats of silylidene
(H{_2}C=Si), the simplest unsaturated silylene
%A Warren W. Harper, Kevin W. Waddell, and
Dennis J. Clouthier
%T Dressed states of molecules and microwave-infrared
double-resonance spectroscopic techniques employing
an electric quadrupole focusing field
%A Chung Yi Lee and Brooks H. Pate
%T Molecular geometry and vibrational frequencies
of ozone from compact variational wavefunctions
explicitly including triple and quadruple
substitutions
%A Matthew L. Leininger and Henry F. Schaefer III
%T High resolution vibrational overtone studies of HOD
and H{_2}O with single mode, injection seeded ring optical
parametric oscillators
%A Ondrej Votava, Joanna R. Fair,
David F. Plusquellic, Eberhard Riedle,
and David J. Nesbitt
%T Relativistic and correlated calculations on
the ground, excited and ionized states of
iodine
%A W.A. de Jong, L. Visscher, and W.C. Nieuwpoort
%T Quantum Monte Carlo methods for rovibrational
states of molecular systems
%A D. Blume, M. Lewerenz, and K.B. Whaley
%T Microwave spectrum of the MnO radical in the
X{^6}{SIGMA}{^+} state
%A Kei-ichi Namiki and Shuji Saito
%T A further theoretical exploration of the surface-
aligned photo-initiated H + CO{_2} reaction. Surface
motion and temperature dependence
%A Josie V. Seltzer, Jason Bechtel, Hua Guo,
and George C. Schatz
%T Ion scattering and recoiling from liquid surfaces
%A Michael Tassotto, Thomas Gannon, and
Philip R. Watson
%T Master equation analysis of intermolecular energy
transfer in multiple-well, multiple-channel
unimolecular reactions. I. Basic theory
%A Prasana K. Venkatesh, Anthony M. Dean,
Morrel H. Cohen, and Robert W. Carr
%T A theory for electron transfer across the
electrode/electrolyte interface involving
more than one redox ion
%A Yuri G. Boroda, August Calhoun, and
Gregory A. Voth
%T Effects of dynamic spatial disorder on ionic trans-
port properties in polymer electrolytes based on
poly(propylene glycol)(4000)
%A Anders Ferry
%T The isotropic-nematic phase transition in a
fluid of dipolar hard spherocylinders
%A Dave C. Williamson and Fernando Del Rio
%T Laser light scattering studies on thermodynamics of
C{_8}-lecithin and monovalent salt solutions
%A Yao-Xiong Huang
%T Relaxation without spin diffusion in fractal
systems. Polymers in glassy solutions
%A T. Tabti, M. Goldman, J.-F. Jacquinot,
C. Fermon, and G. Le Goff
%T Polyelectrolyte solutions containing mixed
valency ions in the cell model. A simulation
and modified Poisson-Boltzmann study
%A T. Das, D. Bratko, L.B. Bhuiyan, and
C.W. Outhwaite
%T Nonadiabatic dynamics for processes involving multiple
avoided curve crossings: double proton transfer and
proton-coupled electron transfer reactions
%A Jian-Yun Fang and Sharon Hammes-Schiffer
%T Polarizability tensor theory by Green's function
matrix. Circular dichrosim and ultraviolet adsorption
bandshape calculations of cyclo(Gly-Pro-Gly-D-Ala-Pro)
having {beta}- and {gamma}-turns
%A Hirotoshi Ito
%T Multicomponent system with polydisperse species
%A D. Bilgen, M. Aykac, and P.D. Gujrati
%T Restricted molecular rotation in hexatic B
and crystalline B mesophases as studied by
the electron paramagnetic resonance method
%A I. Bikchantaev, J. Szydlowska, D. Pociecha,
A. Krowczynski, and E. Gorecka
%T Grand canonical Brownian dynamics simulation of
colloidal adsorption
%A Matthew R. Oberholzer, Norman J. Wagner,
and Abraham M. Lenhoff
%T Phase coexistence in random copolymers
%A Andrey V. Dobrynin
%T Theoretical and experimental studies of CIDNP
kinetics in recombination of radical pairs by
the method of switched external magnetic field.
I. CIDNP theory of radical pairs in switched...
%A Andrei Parnachev, Peter Purtov,
Elena Bagryanskaya, and Renad Sagdeev
%T Computing vibrational energy relaxation for
high frequency modes in condensed environments
%A Dorita Rostkier-Edelstein, Peter Graf, and
Abraham Nitzan
%T Equation of state and electrical conductivity of
"synthetic Uranus," a mixture of water, ammonia,
and isopropanol at shock pressure up to 200
GPa (2 Mbar)
%A W.J. Nellis, N.C. Holmes, A.C. Mitchell,
D.C. Hamilton, and M. Nicol
%T Computer simulation studies of diffusion in
gels. Model structures
%A Paulo A. Netz and Thomas Dorfmuller
%T Size correlations for condensation clusters pro-
duced in free-jet expansions
%A E.L. Knuth
%T Smart walking. A new method for Boltzmann
sampling of protein conformations
%A Ruhong Zhou and B.J. Berne
%T Influence of temperature and viscosity on anthra-
cene rotational diffusion in organic solvents.
Molecular dynamics simulations and fluorescence
anisotropy study
%A Gouri S. Jas, Yan Wang, Steven W. Pauls,
Carey K. Johnson, and Krzysztof Kuczera
%T On Monte Carlo and molecular dynamics methods
inspired by Tsallis statistics. Methodology,
optimization and application to atomic clusters
%A Ioan Andricioaei and John E. Straub