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
D.N.Theodorou
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
orientation
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
J.M.Prausnitz
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 J.de 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
LETTERS TO THE EDITOR
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