The Journal of Chemical Physics, 2002, V 116, N 1, January 1.

 
TE An adaptive, kink-based approach to path integral calculations
AU Randall W.Hall
PP 1-7

TE Quantum-classical dynamics including continuum states using
quantum trajectories
AU E.Gindensperger, C.Meier, and J.A.Beswick
PP 8-13

TE How well do Car-Parrinello simulations reproduce the
Born-Oppenheimer surface? Theory and examples
AU P.Tangney and S.Scandolo
PP 14-24

TE B-H^{delta-}sigma bond as dihydrogen bond acceptor: Some
theoretical observations and predictions
AU Jinshan Li, Feng Zhao, and Fuqian Jing
PP 25-32

TE Generalized form of the conserved quantity in
constant-temperature molecular dynamics
AU Tohru Terada and Akinori Kidera
PP 33-41

TE Periodic density functional embedding theory for complete active
space self-consistent field and configuration interaction
calculations: Ground and excited states
AU Thorsten Kluener, Niranjan Govind, Yan Alexander Wang,
and Emily A.Carter
PP 42-54

TE Constant pressure hybrid Molecular Dynamics-Monte Carlo
simulations
AU Roland Faller and Juan J.de Pablo
PP 55-59

TE A polynomial expansion of the quantum propagator, the Green's
function, and the spectral density operator
AU Amrendra Vijay and Horia Metiu
PP 60-68

TE Classical phase-space analysis of vibronically coupled systems
AU Stefan Dilthey, Bernhard Mehlig, and Gerhard Stock
PP 69-78

TE Theoretical studies of the spin dynamics of quadrupolar nuclei
at rotational resonance conditions
AU Jamie D.Walls, Kwang Hun Lim, and Alexander Pines
PP 79-90

TE Torsion-rotation analysis of OH stretch overtone-torsion
combination bands in methanol
AU D.Rueda, O.V.Boyarkin, T.R.Rizzo, I.Mukhopadhyay, and D.S.Perry
PP 91-100

TE Multiple surface long-range interaction potentials between C
(^{3}P_{j}) and closed-shell molecules
AU Ryan P.A.Bettens and Michael A.Collins
PP 101-104

TE Calculation of the Si-H stretching-bending overtones in
SiHCl_{3} employing ab initio potential energy and dipole moment surfaces
AU Sheng-Gui He, Hai Lin, Hans Buerger, Walter Thiel, Yun Ding,
and Qing-Shi Zhu
PP 105-111

TE Three- versus four-coordinate phosphorus in the gas phase and in
solution: Treacherous relative energies for phosphine oxide and
phosphinous acid
AU Steven S.Wesolowski, Nicole R.Brinkmann, Edward F.Valeev,
Henry F.Schaefer III, Matthew P.Repasky, and William L.Jorgensen
PP 112-122

TE Collision-induced absorption in the nu_{2} fundamental band of
CH_{4}. II. Dependence on the perturber gas
AU J.M.Hartmann, C.Brodbeck, P.-M.Flaud, R.H.Tipping, Alex Brown,
Q.Ma, and J.Lievin
PP 123-127

TE Formation of various types of metallofullerenes by laser
ablation of externally doped fullerenes C_{60}M_{x} (M=Sm, Pt,
Ni, La, Y, and Rh)
AU Qingyu Kong, Yifeng Shen, Li Zhao, Jun Zhuang, Shixiong Qian,
Yufen Li, Yanghui Lin, and Ruifang Cai
PP 128-136

TE On the theory of the strange and unconventional isotopic effects
in ozone formation
AU Yi Qin Gao and R.A.Marcus
PP 137-154

TE The application of a vacuum ultraviolet Fourier transform
spectrometer and synchrotron radiation source to measurements
of: IV. The beta(6,0) and gamma(3,0) bands of NO
AU A.S-C.Cheung, D.H-Y.Lo, K.W-S.Leung, K.Yoshino, A.P.Thorne,
J.E.Murray, K.Ito, T.Matsui, and T.Imajo
PP 155-161

TE Doppler-free two-photon absorption spectroscopy and the Zeeman
effect of the A ^{1}B_{2u}<--X ^{1}A_{1g}14_{0}^{1}1_{0}^{1}
band of benzene
AU Masatoshi Misono, Jinguo Wang, Miho Ushino, Mitsushi Okubo,
Hajime Kato, Masaaki Baba, and Saburo Nagakura
PP 162-171

TE Fully relativistic coupled-cluster static dipole polarizabilities
of the positively charged alkali ions from Li^{+} to 119^{+}
AU Ivan S.Lim, Jon K.Laerdahl, and Peter Schwerdtfeger
PP 172-178

TE Vibrational energy relaxation in liquid oxygen and in liquid nitrogen
AU K.F.Everitt, J.L.Skinner, and Branka M.Ladanyi
PP 179-183

TE Time-resolved fluorescence and absorption spectroscopies of
porphyrin J-aggregates
AU Hideaki Kano and Takayoshi Kobayashi
PP 184-195

TE An ab initio study of water molecules in the bromide ion
solvation shell
AU Simone Raugei and Michael L.Klein
PP 196-202

TE Chemically limited reactions on a percolation cluster
AU Michael J.Saxton
PP 203-208

TE Determining the shear viscosity of model liquids from molecular
dynamics simulations
AU Berk Hess
PP 209-217

TE An improved model for hydrate formation in sulfuric acid-water
nucleation
AU M.Noppel, H.Vehkamaeki, and M.Kulmala
PP 218-228

TE Molecular mechanisms of photo-induced spectral diffusion of
single terrylene molecules in p terphenyl
AU Patrice Bordat and Ross Brown
PP 229-236

TE Vibrational relaxation in liquid chloroform following ultrafast
excitation of the CH stretch fundamental
AU Edwin L.Sibert III and Rossend Rey
PP 237-257

TE An interatomic pair potential for cadmium selenide
AU Eran Rabani
PP 258-262

TE Multilevel Redfield description of the dissipative dynamics at
conical intersections
AU Axel Kuehl and Wolfgang Domcke
PP 263-274

TE The mechanism of HF/H_{2}O chemical etching of SiO_{2}
AU Jeung Ku Kang and Charles B.Musgrave
PP 275-280

TE Red and near-infrared photoluminescence from silica-based
nanoscale materials: Experimental investigation and
quantum-chemical modeling
AU A.S.Zyubin, Yu.D.Glinka, A.M.Mebel, S.H.Lin, L.P.Hwang, and Y.T.Chen
PP 281-294

TE Nuclear magnetic resonance scattering across interfaces via the
dipolar demagnetizing field
AU S.M.Brown, P.N.Sen, and D.G.Cory
PP 295-301

TE Determination of curvature corrections to the surface tension of
a liquid-vapor interface through molecular dynamics simulations
AU A.E.van Giessen and E.M.Blokhuis
PP 302-310

TE Deliquescence of small particles
AU Lynn M.Russell and Yi Ming
PP 311-321

TE Methane transformation to carbon and hydrogen on Pd(100):
Pathways and energetics from density functional theory calculations
AU C.J.Zhang and P.Hu
PP 322-327

TE Nonlocality and optics of inhomogeneous systems: The role of
quantum induction
AU C.M.J.Wijers and P.L.de Boeij
PP 328-341

TE Layer analysis of the structure of water confined in vycor glass
AU P.Gallo, M.A.Ricci, and M.Rovere
PP 342-346

TE Continuum percolation in athermal mixtures of flexible and rigid
macromolecules
AU Xiaoling Wang and Avik P.Chatterjee
PP 347-351

TE Fast tree search for enumeration of a lattice model of protein folding
AU Henry Cejtin, Jan Edler, Allan Gottlieb, Robert Helling, Hao Li,
James Philbin, Ned Wingreen, and Chao Tang
PP 352-359

TE Liquid crystal dynamics in the isotropic phase
AU S.D.Gottke, David D.Brace, Hu Cang, Biman Bagchi, and M.D.Fayer
PP 360-367

TE Phase diagrams classification of thermoreversibly associating
systems with due regard for mesoscopic cyclization effects
AU Igor Erukhimovich and Alexander V.Ermoshkin
PP 368-383

TE Sedimentation equilibrium of a suspension of adhesive colloidal
particles in a planar slit: A density functional approach
AU Niharendu Choudhury and Swapan K.Ghosh
PP 384-391

TE Electric birefringence of dilute aqueous solutions of poly
polyelectrolytes
AU Katja Lachenmayer and Wilhelm Oppermann
PP 392-398

TE The dynamics of chain closure in semiflexible polymers
AU Arti Dua and Binny J.Cherayil
PP 399-409

TE Molecular dynamics studies of the effects of chain branching on
the properties of confined alkanes
AU Jee-Ching Wang and Kristen A.Fichthorn
PP 410-417

TE One-dimensional potential barrier model of protein folding with
intermediates
AU Bokkyoo Jun and David L.Weaver
PP 418-426

TE Effect of the monomer structure on the dynamics of semidilute
polyalkylmethacrylate solutions: A quasielastic light and
neutron scattering investigation
AU S.Magazu, V.Villari, A.Faraone, G.Maisano, and S.Janssen
PP 427-435

TE Detailed molecular dynamics simulation of the self-diffusion of
n-alkane and cis-1,4 polyisoprene oligomer melts
AU V.A.Harmandaris, M.Doxastakis, V.G.Mavrantzas, and D.N.Theodorou
PP 436-446

LETTERS TO THE EDITOR


TE The Morse potential with angular momentum
AU John P.Killingbeck, Alain Grosjean, and Georges Jolicard
PP 447-448

TE Center-of-mass distribution of a polymer near a repulsive wall
AU E.Eisenriegler and R.Maassen
PP 449-450

TE An optical-optical double resonance study of the
d3ssigma_{g}(^{1}Pi_{g}) Rydberg state of O_{2} using
b(^{1}Sigma_{g}^{+}) as the resonant intermediate state
AU Trevor Ridley, Kenneth Lawley, Howard Sheard, and Robert Donovan
PP 451-452