The Journal of Chemical Physics, 2001, V 115, N 24, 22 December.
TE Rotational-state selective nuclear magnetic resonance spectra of
hydrogen in a molecular trap
AU M.Tomaselli and B.H.Meier
PP 11017-11020
TE A local interpolation method for direct classical dynamics
calculations
AU Kurt M.Christoffel, Joel M.Bowman, and Bastiaan J.Braams
PP 11021-11024
ARTICLES
TE Single-simulation determination of phase boundaries: A dynamic
Clausius-Clapeyron integration method
AU Maurice de Koning, Alex Antonelli, and Sidney Yip
PP 11025-11035
TE Significant improvement of the trajectory surface hopping method
by the Zhu-Nakamura theory
AU Chaoyuan Zhu, Hideyuki Kamisaka, and Hiroki Nakamura
PP 11036-11039
TE Prediction of transition state barriers and enthalpies of
reaction by a new hybrid density-functional approximation
AU Jeung Ku Kang and Charles B.Musgrave
PP 11040-11051
TE Application and development of multiconfigurational localized
perturbation theory
AU Barry D.Dunietz and Richard A.Friesner
PP 11052-11067
TE A posteriori corrections to systematic failures of standard
density functionals: The dissociation of two-center
three-electron systems
AU H.Chermette, I.Ciofini, F.Mariotti, and C.Daul
PP 11068-11079
TE Prediction of electron paramagnetic resonance g values using
coupled perturbed Hartree-Fock and Kohn-Sham theory
AU Frank Neese
PP 11080-11096
TE Computing memory functions from molecular dynamics simulations
AU G.R.Kneller and K.Hinsen
PP 11097-11105
TE The Sc+NO-->ScO+N reaction: Rotational state distribution in
ScOX ^{2}Sigma^{+}(v"=0)
AU P.Luc and R.Vetter
PP 11106-11117
TE Electronic spectroscopy of jet-cooled CFCl: Laser-induced
fluorescence, dispersed fluorescence, lifetimes, and C-Cl
dissociation barrier
AU Joseph S.Guss, Ondrej Votava, and Scott H.Kable
PP 11118-11130
TE The pure rotational spectra of SrSH (X~ ^{2}A') and SrS (X
^{1}Sigma^{+}): Further studies in alkaline-earth bonding
AU D.T.Halfen, A.J.Apponi, J.M.Thompsen, and L.M.Ziurys
PP 11131-11138
TE Internal rotation in high-resolution ultraviolet spectra. I.
Semirigid model of a C_{2v} top-C_{s} frame internal motion
AU Martin Schaefer
PP 11139-11146
TE Internal rotation in high-resolution ultraviolet spectra. II.
Spectrum and structure of the aniline-nitrogen van der Waals complex
AU Martin Schaefer and David W.Pratt
PP 11147-11156
TE Nanosecond and femtosecond probing of the dynamics of the
UV-photodissociation of perfluoroethyliodide C_{2}F_{5}I
AU Alexey V.Baklanov, Georgii A.Bogdanchikov, Mattias Aldener,
Ulf Sassenberg, and Anders Persson
PP 11157-11165
TE Variation with the intermolecular distance of properties
dependent on the electron density in hydrogen bond dimers
AU O.Galvez, P.C.Gomez, and L.F.Pacios
PP 11166-11184
TE Electronic relaxation dynamics of carbon cluster anions:
Excitation of the C~ ^{2} Pi _{g} <-- X~ ^{2} Pi _{u} transition
in C_{6}^{-}
AU Christian Frischkorn, Arthur E.Bragg, Alison V.Davis,
Roland Wester, and Daniel M.Neumark
PP 11185-11192
TE Is 9-acridinamine anion a dispersion-bound anion?
AU Piotr Skurski, Janusz Rak, and Jack Simons
PP 11193-11199
TE Energy levels of HCN^{+} and DCN^{+} in the vibronically coupled
X ^{2}Pi and A ^{2}Sigma^{+} states
AU Riccardo Tarroni, Alexander Mitrushenkov, Paolo Palmieri,
and Stuart Carter
PP 11200-11212
TE Ab initio study of the ground and two low-lying electronic
excited states of FeC
AU Sachiko S.Itono, Tetsuya Taketsugu, Tsuneo Hirano, and Umpei Nagashima
PP 11213-11220
TE Crystallization and glass formation processes in
methylcyclohexane: Vibrational dynamics as a possible molecular
indicator of the liquid-glass transition
AU H.Abramczyk and K.Paradowska-Moszkowska
PP 11221-11227
TE The production and decay kinetics of ClOO in water and freon-11:
A time-resolved resonance raman study
AU Sophia C.Hayes, Carsten L.Thomsen, and Philip J.Reid
PP 11228-11238
TE Specific features of geminate radical pair recombination in high
magnetic field
AU A.I.Shushin
PP 11239-11242
TE Proton dynamics in supercritical water
AU C.Andreani, D.Colognesi, E.Degiorgi, and M.A.Ricci
PP 11243-11248
TE Electric field effects on fluorescence quenching due to electron
transfer
AU Maria Hilczer, Sergey Traytak, and M.Tachiya
PP 11249-11253
TE Approach to band gap alignment in confined semiconductors
AU Andreas Goldbach, Marie-Louise Saboungi, Lennox E.Iton, and David L.Price
PP 11254-11260
TE Adsorption of Cu and Pd on alpha-Al_{2}O_{3}(0001) surfaces with
different stoichiometries
AU Z.lodziana and J.K.Norskov
PP 11261-11267
TE Theory and simulations of squeeze-out dynamics in boundary lubrication
AU S.Zilberman, B.N.J.Persson, and A.Nitzan
PP 11268-11277
TE Validation of mesoscopic theory and its application to computing
concentration dependent diffusivities
AU R.Lam, T.Basak, D.G.Vlachos, and M.A.Katsoulakis
PP 11278-11288
TE Adsorption of a fluid in an aerogel: Integral equation approach
AU V.Krakoviack, E.Kierlik, M.-L.Rosinberg, and G.Tarjus
PP 11289-11298
TE A neutron spin-echo study of confined water
AU J.Swenson, R.Bergman, and S.Longeville
PP 11299-11305
TE Facile H-D exchange in adsorbed methylidyne on Pt-(1x2) and
deuteration to gaseous methane
AU D.T.P.Watson, Q.Ge, and D.A.King
PP 11306-11316
TE Density functional calculations on the structure of crystalline
polyethylene under high pressures
AU M.S.Miao, M.-L.Zhang, V.E.Van Doren, C.Van Alsenoy, and Jose Luis Martins
PP 11317-11324
TE Zimm model for a copolymer chain under an alternating field in
theta solvents
AU Rob Wenczel and Chwen-Yang Shew
PP 11325-11332
TE Characterization of gels by Monte Carlo method using a model of
radical polymerization with cross linkers
AU Makoto Nosaka, Masako Takasu, and Kouichi Katoh
PP 11333-11338
TE Atomistic Monte Carlo simulation of cis-1,4 polyisoprene melts.
I. Single temperature end-bridging Monte Carlo simulations
AU M.Doxastakis, V.G.Mavrantzas, and D.N.Theodorou
PP 11339-11351
TE Atomistic Monte Carlo simulation of cis-1,4 polyisoprene melts.
II. Parallel tempering end-bridging Monte Carlo simulations
AU M.Doxastakis, V.G.Mavrantzas, and D.N.Theodorou
PP 11352-11361
TE Mean-field Gaussian chain theory for semidilute theta chains in a slit
AU Iwao Teraoka and Peter Cifra
PP 11362-11370