The Journal of Chemical Physics, 2000, V 113, N 20, November 22.
TE Phase-energy approach to collision-induced
vibrational relaxation
AU A.K.Kazansky, V.A.Ermoshin, and V.Engel
PP 8865-8868
TE Monte Carlo simulation of the chemisorption kinetics
and initial oxide formation on Al(111)
AU D.E.Oner, R.Chakarova, I.Zoric, and B.Kasemo
PP 8869-8872
ARTICLES
TE Benchmark variational coupled cluster doubles results
AU Troy Van Voorhis and Martin Head-Gordon
PP 8873-8879
TE Basis-set extrapolation of the correlation energy
AU A.J.C.Varandas
PP 8880-8887
TE Integrating the quantum Hamilton-Jacobi equations by wavefront
expansion and phase space analysis
AU Eric R.Bittner and Robert E.Wyatt
PP 8888-8897
TE Quantum wave packet dynamics with trajectories: Implementation
with adaptive Lagrangian grids
AU Robert E.Wyatt and Eric R.Bittner
PP 8898-8907
TE Hartree-Fock and Kohn-Sham atomic-orbital based time-dependent
response theory
AU Helena Larsen, Poul Jorgensen, Jeppe Olsen, and Trygve Helgaker
PP 8908-8917
TE Asymptotic correction approach to improving approximate
exchange-correlation potentials: Time-dependent
density-functional theory calculations of molecular excitation
spectra
AU Mark E.Casida and Dennis R.Salahub
PP 8918-8935
TE Interpolated ab initio quantum scattering for the reaction of OH
with HCl
AU Hua-Gen Yu and Gunnar Nyman
PP 8936-8944
TE Ultraviolet laser spectroscopy of jet-cooled CaNC and SrNC free
radicals: Observation of bent excited electronic states
AU Gregory M.Greetham and Andrew M.Ellis
PP 8945-8952
TE Exact two-electron wave packet dynamics of H_{2} in an intense
laser field: Formation of localized ionic states H^{+}H^{-}
AU Kenji Harumiya, Isao Kawata, Hirohiko Kono, and Yuichi Fujimura
PP 8953-8960
TE An ab initio study of (H_{3}B<-NH_{3})^{-}-a dipole-bound anion
supported by the dative charge-transfer bond in the neutral host
AU Robyn Barrios, Piotr Skurski, Janusz Rak, and Maciej Gutowski
PP 8961-8968
TE Quantum model simulation of complete S_{0}-->S_{1} population
transfer by means of intense laser pulses with opposite chirp
AU J.Manz, H.Naundorf, K.Yamashita, and Y.Zhao
PP 8969-8980
TE Naphthalene dimer: Electronic states, excimers, and triplet decay
AU Allan L.L.East and Edward C.Lim
PP 8981-8994
TE Knudsen cell mass spectrometric investigation of the B_{2}N molecule
AU G.Meloni, M.Sai Baba, and K.A.Gingerich
PP 8995-8999
TE Line shape parameters for HF in a bath of argon as a test of
classical path models
AU J.-M.Hartmann and C.Boulet
PP 9000-9010
TE Ab initio study of the role of vibronic coupling in the
ultraviolet valence/Rydberg spectrum of formaldehyde: Handling
of vibronic interaction between three electronic states
AU Miljenko Peric, Friedrich Grein, and Michel R.J.Hachey
PP 9011-9021
TE Oriented chlorine atoms as a probe of the nonadiabatic
photodissociation dynamics of molecular chlorine
AU Andrew J.Alexander, Zee Hwan Kim, S.Alex Kandel, Richard N.Zare,
T.Peter Rakitzis, Yukako Asano, and Satoshi Yabushita
PP 9022-9031
TE Water-wire clusters: Vibronic spectra of
7-hydroxyquinoline-(H_{2}O)_{3}
AU Andreas Bach, Stephane Coussan, Andreas Mueller, and Samuel Leutwyler
PP 9032-9043
TE Multiphoton dynamics of H_{2} with 248 nm picosecond and
femtosecond pulses
AU Bernard L.G.Bakker, David H.Parker, Peter C.Samartzis,
and Theofanis N.Kitsopoulos
PP 9044-9050
TE Structure of the chlorobenzene-argon dimer: Microwave spectrum
and ab initio analysis
AU Jung Jin Oh, Inhee Park, Robb J.Wilson, Sean A.Peebles,
Robert L.Kuczkowski, Elfi Kraka, and Dieter Cremer
PP 9051-9059
TE Microwave-infrared double resonance spectroscopy of an OCS
molecule inside a ^{4}He droplet
AU S.Grebenev, M.Havenith, F.Madeja, J.P.Toennies, and A.F.Vilesov
PP 9060-9066
TE Electronic spectroscopy of B atoms and B_{2} molecules isolated
in para-H_{2}, normal-D_{2}, Ne, Ar, Kr, and Xe matrices
AU Simon Tam, Michel Macler, Michelle E.DeRose, and Mario E.Fajardo
PP 9067-9078
TE Quantum molecular dynamics and spectral simulation of a boron
impurity in solid para-hydrogen
AU Jennifer R.Krumrine, Soonmin Jang, Millard H.Alexander,
and Gregory A.Voth
PP 9079-9089
TE Mechanism of fast proton transfer in ice: Potential energy
surface and reaction coordinate analyses
AU Chigusa Kobayashi, Shinji Saito, and Iwao Ohmine
PP 9090-9100
TE Viscosity and shear response at the dynamic glass transition of
glycerol
AU K.Schroeter and E.Donth
PP 9101-9108
TE Random walk and diffusion of hard spherical particles in
quenched systems: Reaching the continuum limit on a lattice
AU Jean-Francois Mercier and Gary W.Slater
PP 9109-9112
TE The local structure of various hydrogen bonded liquids: Voronoi
polyhedra analysis of water, methanol, and HF
AU Pal Jedlovszky
PP 9113-9121
TE Comparison of planar shear flow and planar elongational flow for
systems of small molecules
AU M.L.Matin, P.J.Daivis, and B.D.Todd
PP 9122-9131
TE Solvent effects in emission spectroscopy: A Monte Carlo quantum
mechanics study of the n<-pi^{*} shift of formaldehyde in water
AU Kaline Coutinho and Sylvio Canuto
PP 9132-9139
TE A high-quality x-ray scattering experiment on liquid water at
ambient conditions
AU Greg Hura, Jon M.Sorenson, Robert M.Glaeser,
and Teresa Head-Gordon
PP 9140-9148
TE What can x-ray scattering tell us about the radial distribution
functions of water?
AU Jon M.Sorenson, Greg Hura, Robert M.Glaeser,
and Teresa Head-Gordon
PP 9149-9161
TE Liquid-vapor coexistence curves of several interatomic model
potentials
AU Hisashi Okumura and Fumiko Yonezawa
PP 9162-9168
TE The solution of the Wertheim association theory for molecular
liquids: Application to hydrogen fluoride
AU P.H.Fries and J.Richardi
PP 9169-9179
TE Hydrolysis of the amorphous silica surface. I. Structure and
dynamics of the dry surface
AU Mark Wilson and Tiffany R.Walsh
PP 9180-9190
TE Hydrolysis of the amorphous silica surface. II. Calculation of
activation barriers and mechanisms
AU Tiffany R.Walsh, Mark Wilson, and Adrian P.Sutton
PP 9191-9201
TE Molecular dynamics calculations of the electrochemical
properties of electrolyte systems between charged electrodes
AU Paul S.Crozier, Richard L.Rowley, and Douglas Henderson
PP 9202-9207
TE A density functional study of crystalline acetic acid and its
proton transfer polymorphic forms
AU Carme Rovira and Juan J.Novoa
PP 9208-9216
TE Relative reactivity of arsenic and gallium dimers and backbonds
during the adsorption of molecular oxygen on GaAs(100)(6x6)
AU Peter Kruse, James G.McLean, and Andrew C.Kummel
PP 9217-9223
TE Chemically selective adsorption of molecular oxygen on
GaAs(100)c(2x8)
AU Peter Kruse, James G.McLean, and Andrew C.Kummel
PP 9224-9232
TE X-ray photoelectron spectroscopy of low surface concentration
mass-selected Ag clusters
AU James N.O'Shea, Joachim Schnadt, Staffan Andersson, Luc Patthey,
Steffen Rost, Annika Giertz, Barbara Brena, Jan-Olof Forsell,
Anders Sandell, Olle Bjoerneholm, Paul A.Bruehwiler,
and Nils Martensson
PP 9233-9238
TE Landau free energy curves for melting of quantum solids
AU C.Chakravarty and R.M.Lynden-Bell
PP 9239-9247
TE X-ray photoelectron spectroscopy and x-ray absorption near edge
structure study of copper sites hosted at the internal surface
of ZSM-5 zeolite: A comparison with quantitative and energetic
data on the CO and NH_{3} adsorption
AU V.Bolis, S.Maggiorini, L.Meda, F.D'Acapito, G.Turnes Palomino,
S.Bordiga, and C.Lamberti
PP 9248-9261
TE Coherent elastic and rotationally inelastic scattering of N_{2},
O_{2}, and CH_{4} from a 10 K Cu(111) surface
AU T.Andersson, F.Althoff, P.Linde, M.Hassel, M.Persson,
and S.Andersson
PP 9262-9267
TE Brownian dynamics simulation of the motion of a rigid sphere in
a viscous fluid very near a wall
AU David S.Sholl, Michael K.Fenwick, Edward Atman,and Dennis C.Prieve
PP 9268-9278
TE Argon scattering from liquid indium: Simulations with embedded
atom potentials and experiment
AU D.Chase, M.Manning, J.A.Morgan, G.M.Nathanson, and R.Benny Gerber
PP 9279-9287
TE The unperturbed state of dendrimers
AU Fabio Ganazzoli and Roberto La Ferla
PP 9288-9293
TE Spectral diffusion in polyethylene: Single-molecule studies
performed between 30 mK and 1.8 K
AU Elizabeth A.Donley and Taras Plakhotnik
PP 9294-9299
TE Early stages of spinodal decomposition in binary liquid crystal
mixtures
AU Akihiko Matsuyama and Tadaya Kato
PP 9300-9309
TE Continuum percolation in macromolecular fluids
AU Avik P.Chatterjee
PP 9310-9317
TE Extracting knowledge-based energy functions from protein
structures by error rate minimization: Comparison of methods
using lattice model
AU Yu Xia and Michael Levitt
PP 9318-9330
TE Bridging the gap between homopolymer and protein models: A
discontinuous molecular dynamics study
AU Anne Voegler Smith and Carol K.Hall
PP 9331-9342
TE Elastic moduli renormalization in self-interacting stretchable
polyelectrolytes
AU Rudi Podgornik, Per Lyngs Hansen, and V.Adrian Parsegian
PP 9343-9350
LETTERS TO THE EDITOR
TE The weakly bound complex CO-orthoD_{2}: Detection of
millimeter-wave transitions
AU Leonid A.Surin, Boris S.Dumesh, Gisbert Winnewisser, and Igor Pak
PP 9351-9352
TE Comment on "An ab initio cluster study of the structure of the
Si(001) surface" [J. Chem. Phys., v.112, 2994 (2000)]
AU J.S.Hess and D.J.Doren
PP 9353-9354
TE Response to "Comment on `An ab initio cluster study of the
structure of the Si(001) surface'" [J. Chem. Phys., v.113, 9353 (2000)]
AU Mark S.Gordon, James R.Shoemaker, and Larry W.Burggraf
PP 9355-9356
TE Erratum: "In situ studies of thiol self-assembly on gold from
solution using atomic force microscopy" [J. Chem. Phys., v.108,
5002 (1998)]
AU Song Xu, Sylvain J.N.Cruchon-Dupeyrat, Jayne C.Garno,
Gang-Yu Liu, G.Kane Jennings, Tseh-Hwan Yong, and Paul E.Laibinis
PP 9357