Journal of Chemical Physics, 2000, V 113, N 21, December 1.

 
TE Mixing quantum and classical dynamics using Bohmian trajectories
AU E.Gindensperger, C.Meier, and J.A.Beswick
PP 9369-9372

TE Ionic dissociation of NaCl on frozen water
AU Seong-Chan Park, T.Pradeep, and H.Kang
PP 9373-9376

ARTICLES

TE A set of standard enthalpies of formation for 
benchmarking, calibration, and parametrization of electronic structure methods
AU Jerzy Cioslowski, Michael Schimeczek, Guang Liu, and Vesselin Stoyanov
PP 9377-9389

TE Simplified calculation of the stability matrix for semiclassical
propagation
AU Sophya Garashchuk and John C.Light
PP 9390-9392

TE An assessment of theoretical methods for the study of transition
metal carbonyl complexes: [Cl_{2}Rh(CO)_{2}]^{-} and
[Cl_{2}Rh(CO)]^{-} as case studies
AU Zhenming Hu and Russell J.Boyd
PP 9393-9401

TE Analytical calculation of nuclear magnetic resonance indirect
spin-spin coupling constants at the generalized gradient
approximation and hybrid levels of density-functional theory
AU Trygve Helgaker, Mark Watson, and Nicholas C.Handy
PP 9402-9409

TE Nuclear spin-spin coupling constants from regular approximate
relativistic density functional calculations. II. Spin-orbit
coupling effects and anisotropies
AU Jochen Autschbach and Tom Ziegler
PP 9410-9418

TE Two-center nonexchange integrals over Slater orbitals
AU Michael P.Barnett
PP 9419-9428

TE Theory for determining alignment parameters of symmetric top
molecule using (n+1) LIF
AU Shu-Lin Cong, Ke-Li Han, and Nan-Quan Lou
PP 9429-9442

TE Low-order scaling local correlation methods II: Splitting the
Coulomb operator in linear scaling local second-order
Moller-Plesset perturbation theory
AU Georg Hetzer, Martin Schuetz, Hermann Stoll,
and Hans-Joachim Werner
PP 9443-9455

TE Theoretical studies of intersystem crossing effects in the
O+H_{2} reaction
AU Mark R.Hoffmann and George C.Schatz
PP 9456-9465

TE Metastable vibrationally excited HF (v=1) in helium nanodroplets
AU K.Nauta and R.E.Miller
PP 9466-9469

TE Microsolvation of similar-sized aromatic molecules:
Photoelectron spectroscopy of bithiophene-, azulene-, and
naphthalene-water anion clusters
AU J.Schiedt, W.J.Knott, K.Le Barbu, E.W.Schlag, and R.Weinkauf
PP 9470-9478

TE Theoretical study of the photodetachment spectroscopy of the
IHBr and IDBr anions
AU Alexey Kaledin, Sergei Skokov, Joel M.Bowman, and Keiji Morokuma
PP 9479-9487

TE Nonlinear wavepacket interferometry for polyatomic molecules
AU Jeffrey A.Cina
PP 9488-9496

TE An intramolecular theory of the mass-independent isotope effect
for ozone. II. Numerical implementation at low pressures using a
loose transition state
AU B.C.Hathorn and R.A.Marcus
PP 9497-9509

TE Semiclassical molecular dynamics simulations of intramolecular
proton transfer in photoexcited 2-(2'-hydroxyphenyl)-oxazole
AU Victor Guallar, Victor S.Batista, and William H.Miller
PP 9510-9522

TE An ab initio study of the interaction in dimethylamine dimer and
trimer
AU Enrique M.Cabaleiro-Lago and Miguel A.Rios
PP 9523-9531

TE Discovery of benzene cation in a very long-lived excited
electronic state
AU Myung Soo Kim, Chan Ho Kwon, and Joong Chul Choe
PP 9532-9539

TE Theoretical study of [Na(NH_{3})_{n}]^{-} (n=1-4)
AU Kenro Hashimoto, Tetsuya Kamimoto, Nobuaki Miura, Rei Okuda,
and Kota Daigoku
PP 9540-9548

TE Theoretical studies of the X~ ^{2}Pi and A~ ^{2}Sigma^{+} states
of He-SH and Ne-SH complexes
AU Slawomir M.Cybulski, Rafal R.Toczylowski, Hee-Seung Lee,
and Anne B.McCoy
PP 9549-9561

TE Three-dimensional ab initio potential energy surface for He-O_{2}
AU Gerrit C.Groenenboom and Izabela M.Struniewicz
PP 9562-9566

TE Laser optogalvanic and jet spectroscopy of germylene (GeH_{2}):
New spectroscopic data for an important semiconductor growth
intermediate
AU Tony C.Smith, Dennis J.Clouthier, Wei Sha, and Allan G.Adam
PP 9567-9576

TE Chiral discrimination in hydrogen-bonded complexes
AU Stefan Portmann, Andreas Inauen, Hans P.Luethi,
and Samuel Leutwyler
PP 9577-9585

TE Theoretical and experimental study of the
A^{2}Pi_{u}-X^{2}Pi_{g} band system of C_{7}^{-}
AU Nicholas M.Lakin, Mikhail Pachkov, Marek Tulej, John P.Maier,
Gilberte Chambaud, and Pavel Rosmus
PP 9586-9592

TE Direct EELS observation of the oxidation states of Sm atoms in
Sm@C_{2n} metallofullerenes (74<2n<84)
AU Toshiya Okazaki, Kazutomo Suenaga, Yongfu Lian, Zhennan Gu,
and Hisanori Shinohara
PP 9593-9597

TE Nonlinear optical response in acceptor-substituted carotenoids:
A theoretical study
AU M.Yu.Balakina, J.Li, V.M.Geskin, S.R.Marder, and J.L.Bredas
PP 9598-9609

TE Vibrational dynamics up to the dissociation threshold: A case
study of two-dimensional HOCl
AU Marc Joyeux, Dominique Sugny, Maurice Lombardi, Remy Jost,
Reinhard Schinke, Sergei Skokov, and Joeel Bowman
PP 9610-9621

TE A combined crossed beam and ab initio investigation on the
reaction of carbon species with C_{4}H_{6} isomers. I. The
1,3-butadiene molecule, H_{2}CCHCHCH_{2}(X^{1}A')
AU I.Hahndorf, H.Y.Lee, A.M.Mebel, S.H.Lin, Y.T.Lee, and R.I.Kaiser
PP 9622-9636

TE A combined crossed beam and ab initio investigation on the
reaction of carbon species with C_{4}H_{6} isomers. II. The
dimethylacetylene molecule, H_{3}CCCCH_{3}(X^{1}A_{1g})
AU L.C.L.Huang, H.Y.Lee, A.M.Mebel, S.H.Lin, Y.T.Lee, and R.I.Kaiser
PP 9637-9648

TE Photofragmentation dynamics of the thiomethoxy radical
AU Michael B.Pushkarsky, Brian E.Applegate, and Terry A.Miller
PP 9649-9657

TE Quantum mechanical calculation of product state distributions
for the O(^{1}D)+H_{2}-->OH+H reaction on the ground electronic
state surface
AU Marlies Hankel, Gabriel G.Balint-Kurti, and Stephen K.Gray
PP 9658-9667

TE Site-specific dissociation dynamics of ethylene at 157 nm:
Atomic and molecular hydrogen elimination
AU Jim J.Lin, Chia C.Wang, Yuan T.Lee, and Xueming Yang
PP 9668-9677

TE Multiple channel dynamics of the O+CH_{3}F reaction
AU Jinian Shu, Jim J.Lin, Yuan T.Lee, and Xueming Yang
PP 9678-9685

TE Alkali-helium exciplex formation on the surface of helium
nanodroplets. I. Dispersed emission spectroscopy
AU J.Reho, J.Higgins, C.Callegari, K.K.Lehmann, and G.Scoles
PP 9686-9693

TE Alkali-helium exciplex formation on the surface of helium
nanodroplets. II. A time-resolved study
AU J.Reho, J.Higgins, K.K.Lehmann, and G.Scoles
PP 9694-9701

TE Dimensional crossover of diffusion-limited reaction in a
quasi-one-dimensional lattice
AU Jae Woo Lee
PP 9702-9705

TE Dynamic light scattering with femtosecond laser pulses:
Potential and limitations toward quasielastic nonlinear light
scattering
AU Koen Clays and Andre Persoons
PP 9706-9713

TE A direct-dynamics study of the zwitterion-to-neutral
interconversion of glycine in aqueous solution
AU Antonio Fernandez-Ramos, Zorka Smedarchina, Willem Siebrand,
and Marek Z.Zgierski
PP 9714-9721

TE Interfacial tension of electrolyte solutions
AU Yan Levin
PP 9722-9726

TE Hydrogen bond thermodynamic properties of water from dielectric
constant data
AU S.J.Suresh and V.M.Naik
PP 9727-9732

TE Evaluation of small-angle scattering data of charged particles
using the generalized indirect Fourier transformation technique
AU G.Fritz, A.Bergmann, and O.Glatter
PP 9733-9740

TE Molecular dynamics simulations of gas-liquid nucleation of
Lennard-Jones fluid
AU Kari Laasonen, Stephan Wonczak, Reinhard Strey, and Ari Laaksonen
PP 9741-9747

TE Composition-dependent dynamical structures of 1-propanol-water
mixtures determined by dynamical dielectric properties
AU Takaaki Sato, Akio Chiba, and Ryusuke Nozaki
PP 9748-9758

TE Importance sampling and theory of nonequilibrium solvation
dynamics in water
AU Phillip L.Geissler and David Chandler
PP 9759-9765

TE Accurate partition function and thermodynamic data for water
AU Marcus Vidler and Jonathan Tennyson
PP 9766-9771

TE Critical behavior of simple fluids confined by microporous
materials
AU W.Rzysko, J.J.de Pablo, and S.Sokolowski
PP 9772-9777

TE Modeling benzene orientational randomization in Na-Y zeolite at
finite loadings with kinetic Monte Carlo and master equation methods
AU Cristian Blanco, Chandra Saravanan, Melissa Allen,
and Scott M.Auerbach
PP 9778-9787

TE Electron paramagnetic resonance as a quantitative tool for the
study of multiwalled carbon nanotubes
AU J.N.Coleman, D.F.O'Brien, A.B.Dalton, B.McCarthy, B.Lahr,
R.C.Barklie, and W.J.Blau
PP 9788-9793

TE Melting of monolayer protected cluster superlattices
AU N.Sandhyarani, M.P.Antony, G.Panneer Selvam, and T.Pradeep
PP 9794-9803

TE Computer simulation study of the local pressure in a spherical
liquid-vapor interface
AU H.El Bardouni, M.Mareschal, R.Lovett, and M.Baus
PP 9804-9809

TE Nucleation and growth in cluster dynamics: A quantitative test
of the classical kinetic approach
AU Laszlo Granasy and Peter F.James
PP 9810-9821

TE Bistability and formation of low work function areas in the
O_{2}+H_{2} reaction on a Rh(111) surface
AU A.Schaak and R.Imbihl
PP 9822-9829

TE Hydration structure and stability of Met-enkephalin studied by a
three-dimensional reference interaction site model with a
repulsive bridge correction and a thermodynamic perturbation method
AU Andriy Kovalenko, Fumio Hirata, and Masahiro Kinoshita
PP 9830-9836

TE Structure factors for the simplest solvable model of
polydisperse colloidal fluids with surface adhesion
AU Domenico Gazzillo and Achille Giacometti
PP 9837-9848

TE Mixtures of charged colloids and nonadsorbing flexible
polyelectrolytes: An integral equation study
AU Paula G.Ferreira, Magdalena Dymitrowska, and Luc Belloni
PP 9849-9862

TE Effects of polyethylene glycol on protein interactions
AU Amit M.Kulkarni, Avik P.Chatterjee, Kenneth S.Schweizer,
and Charles F.Zukoski
PP 9863-9873