The Journal of Chemical Physics, 2002, V 116, N 17, 1 May.

TE Combining semiclassical time evolution and quantum Boltzmann
operator to evaluate reactive flux correlation function for
thermal rate constants of complex systems
AU Takeshi Yamamoto, Haobin Wang, and William H.Miller
PP 7335-7349

TE Multidimensional discrete variable representation bases: Sinc
functions and group theory
AU Robert G.Littlejohn and Matthew Cargo
PP 7350-7361

TE Application of the intermediate Hamiltonian valence-universal
coupled-cluster method to the magnesium atom
AU P.Malinowski, L.Meissner, and A.Nowaczyk
PP 7362-7371

TE Polarization consistent basis sets. II. Estimating the Kohn-Sham
basis set limit
AU Frank Jensen
PP 7372-7379

TE Charge transfer in small hydrogen bonded clusters
AU Arjan van der Vaart and Kenneth M.Merz, Jr.
PP 7380-7388

TE Selective correlation scheme within diffusion quantum Monte Carlo
AU Friedemann Schautz and Heinz-Juergen Flad
PP 7389-7399

TE New formula for the bulk viscosity constructed from the
interatomic potential and the pair distribution function
AU Hisashi Okumura and Fumiko Yonezawa
PP 7400-7410

TE Extension of the method of moments of coupled-cluster equations
to excited states: The triples and quadruples corrections to the
equation-of-motion coupled-cluster singles and doubles energies
AU Karol Kowalski and Piotr Piecuch
PP 7411-7423

TE Nonlinear relaxation of polarization and optical susceptibility
of dielectric particles under sudden change of external field direction
AU R.B.Jones
PP 7424-7433

TE Solving the Poisson equation for solute-solvent systems using
fast Fourier transforms
AU Christine Peter, Wilfred F.van Gunsteren, and Philippe H.Huenenberger
PP 7434-7451

TE Ab initio studies of ClO_{x} reactions. I. Kinetics and
mechanism for the OH+ClO reaction
AU R.S.Zhu, Z.F.Xu, and M.C.Lin
PP 7452-7460

TE Resonances in the O(^{3}P)+HCl reaction due to van der Waals minima
AU Tiao Xie, Dunyou Wang, Joel M.Bowman, and David E.Manolopoulos
PP 7461-7467

TE Vibrationally resolved threshold photoelectron-photoion
coincidence spectra of ArXe
AU H.Yoshii, T.Hayaishi, T.Onuma, T.Aoto, Y.Morioka, and K.Ito
PP 7468-7472

TE Infrared-microwave double resonance spectroscopy of OCS in pure
^{4}He and mixed ^{4}He/^{3}He clusters
AU M.Kunze, P.R.L.Markwick, N.Poertner, J.Reuss, and M.Havenith
PP 7473-7485

TE Theoretical study of excited state proton transfer in
3,6-bis(benzoxazolyl)pyrocatechol (BBPC)
AU Marek Z.Zgierski, Antonio Fernandez-Ramos, and Anna Grabowska
PP 7486-7494

TE A theoretical study of the vibrational spectrum of the CS_{2} molecule
AU Jose Zun~iga, Adolfo Bastida, Alberto Requena, and Edwin L.Sibert III
PP 7495-7508

TE Theory of stimulated Raman adiabatic passage in a degenerated
reaction system: Application to control of molecular handedness
AU Y.Ohta, K.Hoki, and Y.Fujimura
PP 7509-7517

TE Ab initio calculations of low-lying electronic states of vinyl chloride
AU Jia-Lin Chang and Yit-Tsong Chen
PP 7518-7525

TE Theoretical characterization of the lowest-energy absorption
band of pyrrole
AU Bjoern O.Roos, Per-Ake Malmqvist, Vincent Molina,
Luis Serrano-Andres, and Manuela Merchan
PP 7526-7536

TE Ab initio line shape cross sections: On the need of
off-the-energy shell calculation
AU J.Boissoles, C.Boulet, and X.Bruet
PP 7537-7543

TE Experimental and theoretical study of line mixing in NH_{3}
spectra. I. Scaling analysis of parallel bands perturbed by He
AU S.Hadded, F.Thibault, P.-M.Flaud, H.Aroui, and J.-M.Hartmann
PP 7544-7557

TE Evolution of the charge localization process in xenon cluster
ions: From tetramer to dimer cores as a function of cluster size
AU T.Laarmann, A.Kanaev, K.von Haeften, H.Wabnitz,
R.von Pietrowski, and T.Moeller
PP 7558-7563

TE Calculations of rotation-vibration states with the z axis
perpendicular to the plane: High accuracy results for H_{3}^{+}
AU Maxim A.Kostin, Oleg L.Polyansky, and Jonathan Tennyson
PP 7564-7573

TE Gas-phase ion/molecule reactions in octafluorocyclobutane
AU Kenzo Hiraoka, Takayuki Mizuno, Daisuke Eguchi, Kiyotoshi Takao,
Tomoyuki Iino, and Shinichi Yamabe
PP 7574-7582

TE Quantitative investigation of the kinetic energy release in
metastable decay reactions of (O_{2})_{n=2-10}^{+} ions:
Evidence for a change in the metastable decay mechanism as a
function of cluster size
AU S.Matt, R.Parajuli, A.Stamatovic, P.Scheier, and T.D.Maerk
PP 7583-7588

TE Lattice models of ionic systems
AU Vladimir Kobelev, Anatoly B.Kolomeisky, and Michael E.Fisher
PP 7589-7598

TE Design of strongly modulating pulses to implement precise
effective Hamiltonians for quantum information processing
AU Evan M.Fortunato, Marco A.Pravia, Nicolas Boulant,
Grum Teklemariam, Timothy F.Havel, and David G.Cory
PP 7599-7606

TE Probing molecular geometry of solids by nuclear magnetic
resonance spin exchange at the n=0 rotational-resonance condition
AU Piotr Tekely, Carole Gardiennet, Marek J.Potrzebowski,
Angelika Sebald, Detlef Reichert, and Zeev Luz
PP 7607-7616

TE Homogeneous nucleation rates of n-propanol in nitrogen measured
in a piston-expansion tube
AU A.Grasmann and F.Peters
PP 7617-7620

TE C_{70}Ph_{8} and C_{70}Ph_{10}: A computational and solid
solution spectroscopic study
AU Marianna Fanti, Francesco Zerbetto, Jean-Pierre Galaup,
James H.Rice, Paul R.Birkett, Norbert Wachter, and Roger Taylor
PP 7621-7626

TE Prediction of the phase behavior of acetonitrile and methanol
with ab initio pair potentials. I. Pure components
AU Amadeu K.Sum, Stanley I.Sandler, Robert Bukowski, and Krzysztof Szalewicz
PP 7627-7636

TE Prediction of the phase behavior of acetonitrile and methanol
with ab initio pair potentials. II. The mixture
AU Amadeu K.Sum, Stanley I.Sandler, Robert Bukowski, and Krzysztof Szalewicz
PP 7637-7644

TE Extending Wertheim's perturbation theory to the solid phase of
Lennard-Jones chains: Determination of the global phase diagram
AU C.Vega, F.J.Blas, and A.Galindo
PP 7645-7655

TE Atomistic molecular dynamics simulation of diffusion in binary
liquid n-alkane mixtures
AU V.A.Harmandaris, D.Angelopoulou, V.G.Mavrantzas, and
PP 7656-7665

TE Many-particle diffusion in continuum: Influence of a periodic
surface potential
AU J.M.Lahtinen, M.Ma[ess with caron]in, T.Laurila, T.Ala-Nissila,
and Z.Chvoj
PP 7666-7672

TE Dissociative chemisorption of CH_{4} on a cesiated Pt(111)
surface studied by supersonic molecular beam scattering techniques
AU Takahiro Kondo, Takashi Sasaki, and Shigehiko Yamamoto
PP 7673-7684

TE C_{70} adsorbed on Cu(111): Metallic character and molecular
AU A.Goldoni, C.Cepek, R.Larciprete, L.Sangaletti, S.Pagliara,
L.Floreano, R.Gotter, A.Verdini, A.Morgante, Y.Luo, and M.Nyberg
PP 7685-7690

TE Droplet spreading: A Monte Carlo test of Tanner's law
AU A.Milchev and K.Binder
PP 7691-7694

TE Scattering from isolated molecules on metal surfaces: The
relationship between elastic and inelastic intensities
AU B.H.Choi, A.P.Graham, K.T.Tang, and J.P.Toennies
PP 7695-7703

TE The adsorption of acenes on rutile TiO_{2}(110): A
multi-technique investigation
AU S.Reis, H.Krumm, A.Niklewski, V.Staemmler, and Ch.Woell
PP 7704-7713

TE Controlled polymer dewetting by physical confinement
AU K.Y.Suh, Joonhyung Park, and Hong H.Lee
PP 7714-7718

TE Controlling structural organization of binary phase-separating
fluids through mobile particles
AU Yan-li Tang and Yu-qiang Ma
PP 7719-7723

TE Equilibrium polymerization of cyclic carbonate oligomers. II.
Role of multiple active sites
AU P.Ballone and R.O.Jones
PP 7724-7732

TE Forces between aqueous nonuniformly charged colloids from
molecular simulation
AU A.Striolo, D.Bratko, J.Z.Wu, N.Elvassore, H.W.Blanch, and
PP 7733-7743

TE Density-functional theory of the columnar phase of discotic
Gay-Berne molecules
AU Tamara Coussaert and Marc Baus
PP 7744-7751

TE Stochastic simulations of DNA in flow: Dynamics and the effects
of hydrodynamic interactions
AU Richard M.Jendrejack, Juan Pablo, and Michael D.Graham
PP 7752-7759

TE On the interpretation of force extension curves of single
protein molecules
AU Dmitrii E.Makarov, Zhisong Wang, James B.Thompson, and
Helen G.Hansma
PP 7760-7765


TE Comment on "Explicit-solvent molecular dynamics simulation at constant pH: Methodology and application to small amines" [J. Chem. Phys., v.114, 9706 (2001)] AU Antonio M.Baptista PP 7766-7768