The Journal of Chemical Physics, 2001, V 115, N 18, November 8.
TE Coupled-cluster theory for excited electronic states:
The full equation-of-motion coupled-cluster single, double,
and triple excitation method
AU Stanislaw A.Kucharski, Marta Wloch, Monika Musial, and Rodney J.Bartlett
PP 8263-8266
ARTICLES
TE A new implementation of four-component relativistic density
functional method for heavy-atom polyatomic systems
AU Takeshi Yanai, Hisayoshi Iikura, Takahito Nakajima,
Yasuyuki Ishikawa, and Kimihiko Hirao
PP 8267-8273
TE Inter-basin dynamics on multidimensional potential surfaces. I.
Escape rates on complex basin surfaces
AU Florin Despa and R.Stephen Berry
PP 8274-8278
TE Non-Hermitian perturbative effective operators: Connectivity and
derivation of diagrammatic representation
AU C.K.Duan and M.F.Reid
PP 8279-8284
TE Asymptotic analysis of state-to-state tetraatomic reactions
using row-orthonormal hyperspherical coordinates
AU Ken Museth and Aron Kuppermann
PP 8285-8297
TE Rules of pair electron correlation in MF(M=H, Li, Na)
AU Shuping Zhuo, Jichong Wei, and Guanzhi Ju
PP 8298-8304
TE Linear scaling and the 1,2-contracted Schroedinger equation
AU David A.Mazziotti
PP 8305-8311
TE New splitting formulations for lattice summations
AU Paul F.Batcho and Tamar Schlick
PP 8312-8326
TE Characterization of patterns, oscillations, and chaos in chemical systems
AU Nobuo Yoshida
PP 8327-8330
TE Dispersion fitted finite difference method with applications to
molecular quantum mechanics
AU Stephen K.Gray and Evelyn M.Goldfield
PP 8331-8344
TE Ab initio prediction of the vibrational-rotational energy levels
of hydrogen peroxide and its isotopomers
AU Jacek Koput, Stuart Carter, and Nicholas C.Handy
PP 8345-8350
TE Theoretical study of photochromism of
N-salicylidene-alpha-methylbenzylamine
AU Marek Z.Zgierski
PP 8351-8358
TE Photofragment translational spectroscopy of 1,2-butadiene at 193 nm
AU Jason C.Robinson, Weizhong Sun, Sean A.Harris, Fei Qi, and Daniel M.Neumark
PP 8359-8365
TE Rovibrational analysis of molecular collisions using coherent states
AU Anatol Blass, Erik Deumens, and Yngve Oehrn
PP 8366-8372
TE An excess electron bound to urea. I. Canonical and zwitterionic tautomers
AU Piotr Skurski and Jack Simons
PP 8373-8380
TE Complete active space self-consistent field and multireference
configuration interaction studies of the low-lying excited
states of the ClO-H_{2}O radical complex
AU Yumin Li and Joseph S.Francisco
PP 8381-8383
TE The vibrational and rotational dynamics of acetylene solvated in
superfluid helium nanodroplets
AU K.Nauta and R.E.Miller
PP 8384-8392
TE State-resolved rotationally inelastic collisions of highly rotationally
excited CN(A ^{2}Pi) with helium: Influence of the interaction potential
AU Boris Nizamov, Paul J.Dagdigian, and Millard H.Alexander
PP 8393-8402
TE Stability of angular confinement and rotational acceleration of
a diatomic molecule in an optical centrifuge
AU Michael Spanner, Kristina M.Davitt, and Misha Yu.Ivanov
PP 8403-8410
TE Energy disposal in CN(X ^{2}Sigma^{+}) produced in the 157 nm
photodissociation of acrylonitrile
AU Jingzhong Guo, Tucker Carrington, and S.V.Filseth
PP 8411-8417
TE Matrix isolation study of the interaction of excited neon atoms
with allene and propyne: Infrared spectra of H_{2}CCCH_{2}^{+} and H_{2}CCCH^{-}
AU Daniel Forney, Marilyn E.Jacox, Catherine L.Lugez, and Warren E.Thompson
PP 8418-8430
TE The helium-, neon-, and argon-cyclopropane van der Waals complexes: Ab initio
ground state intermolecular potential energy surfaces and intermolecular dynamics
AU Thomas Bondo Pedersen, Berta Fernandez, Henrik Koch, and Jan Makarewicz
PP 8431-8439
TE Vibrational polarization beats in femtosecond coherent anti-Stokes Raman
spectroscopy: A signature of dissociative
pump-dump-pump wave packet dynamics
AU J.Faeder, Iddo Pinkas, G.Knopp, Yehiam Prior, and D.J.Tannor
PP 8440-8454
TE Time-dependent wave packet calculation for state-to-state
reaction of Cl+H_{2} using the reactant-product decoupling approach
AU Yici Zhang, Jingfeng Zhang, Haiyan Zhang, Qinggang Zhang, and John Z.H.Zhang
PP 8455-8459
TE Variational transition state theory evaluation of the rate
constant for proton transfer in a polar solvent
AU Robin P.McRae, Gregory K.Schenter, Bruce C.Garrett,
Zoran Svetlicic, and Donald G.Truhlar
PP 8460-8480
TE Nonequilibrium partition function in the presence of heat flow
AU Mazen Al-Ghoul and Byung Chan Eu
PP 8481-8488
TE The impact of molecular shape and polarity on chiral discrimination
AU I.Paci and N.M.Cann
PP 8489-8505
TE Broadband composite spin-state-selective rotations for NMR
spectroscopy on partially aligned molecules
AU Thomas Schulte-Herbrueggen, Thomas S.Untidt, Niels Chr.Nielsen,
and Ole W.Sorensen
PP 8506-8517
TE Monte Carlo simulation of homogeneous binary vapor-liquid
nucleation: Mutual enhancement of nucleation in a partially miscible system
AU S.Yoo, K.J.Oh, and X.C.Zeng
PP 8518-8524
TE Nanoscopic inhomogeneities induced by spinodal decomposition and
irreversible chemical growth reactions
AU Michael Schulz and Peter Reineker
PP 8525-8530
TE Isotropic Raman line shapes of N_{2} and O_{2} along their
liquid-gas coexistence lines
AU K.F.Everitt and J.L.Skinner
PP 8531-8539
TE Molecular dynamics simulations of solvent reorganization in
electron-transfer reactions
AU Christoph Hartnig and Marc T.M.Koper
PP 8540-8546
TE Collision-induced hyper-Rayleigh spectrum of octahedral
molecules: The case of SF_{6}
AU Tadeusz Bancewicz, Jean-Luc Godet, and George Maroulis
PP 8547-8551
TE Photochemistry of O_{2} on atomically stepped Pt surfaces:
Enhanced O_{2} photodepletion at step sites
AU C.Emil Tripa and John T.Yates, Jr.
PP 8552-8556
TE On entropies of metal-hydrogen systems
AU F.D.Manchester
PP 8557-8562
TE Covalent attachment of acetonitrile on Si(100) through Si-C and
Si-N linkages
AU Feng Tao, Zhong Hai Wang, Ming Hua Qiao, Qin Liu, Wee Sun Sim, and Guo Qin Xu
PP 8563-8569
TE Hydrogenation of S to H_{2}S on Pt(111): A first-principles study
AU A.Michaelides and P.Hu
PP 8570-8574
TE Wetting transitions at the air-liquid interface of
water+tetradecane+C_{6}E_{2} mixtures
AU Ming-Chih Yeh and Li-Jen Chen
PP 8575-8582
TE Dynamical coexistence of phases in molecular clusters
AU Ana Proykova, Stoyan Pisov, and R.Stephen Berry
PP 8583-8591
TE Vibronic interactions and superconductivity in acene anions and cations
AU Takashi Kato and Tokio Yamabe
PP 8592-8602
TE Molecular dynamics simulations of the liquid-vapor interface of
a molten salt. I. Influence of the interaction potential
AU Andres Aguado, Mark Wilson, and Paul A.Madden
PP 8603-8611
TE Molecular dynamics simulations of the liquid-vapor interface of
a molten salt. II. Finite size effects and comparison to experiment
AU Andres Aguado, W.Scott, and Paul A.Madden
PP 8612-8619
TE A replica reference interaction site model theory for a polar
molecular liquid sorbed in a disordered microporous material
with polar chemical groups
AU Andriy Kovalenko and Fumio Hirata
PP 8620-8633
TE Molecular dynamics simulation of gaseous-liquid phase
transitions of soluble and insoluble surfactants at a fluid interface
AU M.S.Tomassone, A.Couzis, C.M.Maldarelli, J.R.Banavar, and J.Koplik
PP 8634-8642
TE Self-sputtering of silver by mono- and polyatomic projectiles: A
molecular dynamics investigation
AU M.Lindenblatt, R.Heinrich, A.Wucher, and B.J.Garrison
PP 8643-8654
TE Phase diagram of dilute lattice surfactant solution
AU Claudio S.Shida and Vera B.Henriques
PP 8655-8664
TE Free volume study of amorphous polymers detected by solid-state
^{13}C NMR linewidth experiments
AU Atsushi Asano and K.Takegoshi
PP 8665-8669
TE First-principles molecular dynamics study of a polymer under
tensile stress
AU Ute F.Roehrig and Irmgard Frank
PP 8670-8674
TE Molecular dynamics simulation of polymer ordering. II.
Crystallization from the melt
AU Takashi Yamamoto
PP 8675-8680
TE Dielectric relaxation in liquid crystalline dimers
AU D.A.Dunmur, G.R.Luckhurst, M.R.de la Fuente, S.Diez, and M.A.Perez Jubindo
PP 8681-8691
TE Theory of thermotropic polymer liquid crystals
AU Witold Brostow and Janusz Walasek
PP 8692-8704
TE Structural transformations in confined lamellar phases in
oil-water-surfactant mixtures
AU M.Tasinkevych and A.Ciach
PP 8705-8713
LETTERS TO THE EDITOR
TE Erratum: "Ab initio structures and polarizabilities of sodium
clusters" [J. Chem. Phys., v.115, 4322 (2001)]
AU Leeor Kronik, Igor Vasiliev, Manish Jain, and James R.Chelikowsky
PP 8714