Journal of Chemical Physics, 2001, V 115, N 10, September 8.

TE A two-component variant of the Douglas-Kroll relativistic linear
combination of Gaussian-type orbitals density-functional method:
Spin-orbit effects in atoms and diatomics
AU Markus Mayer, Sven Krueger, and Notker Roesch
PP 4411-4423

TE Nonlinear response functions for the three-dimensional spectroscopies
AU Minhaeng Cho
PP 4424-4437

TE Sum rules for exchange and correlation potentials
AU Paul W.Ayers and Mel Levy
PP 4438-4443

TE Nonlinear dielectric and magnetic relaxation after a sudden
change of applied field
AU B.U.Felderhof and R.B.Jones
PP 4444-4449

TE Quantum dynamics for a system coupled to slow baths: On-the-fly
filtered propagator method
AU Eunji Sim
PP 4450-4456

TE Rapid calculation of the Coulomb component of the stress tensor
for three-dimensional systems with two-dimensional periodicity
AU Masaaki Kawata, Masuhiro Mikami, and Umpei Nagashima
PP 4457-4462

TE Accurate relativistic Gaussian basis sets for H through Lr
determined by atomic self-consistent field calculations with the
third-order Douglas-Kroll approximation
AU Takashi Tsuchiya, Minori Abe, Takahito Nakajima, and Kimihiko Hirao
PP 4463-4472

TE Field-induced coordinates for the determination of dynamic
vibrational nonlinear optical properties
AU Josep M.Luis, Miquel Duran, and Bernard Kirtman
PP 4473-4483

TE Path integral formulation of centroid dynamics for systems
obeying Bose-Einstein statistics
AU Nicholas V.Blinov, Pierre-Nicholas Roy, and Gregory A.Voth
PP 4484-4495

TE Structure and thermodynamic stability of the OsC and OsC_{2} molecules by 
theoretical calculations and by Knudsen cell mass spectrometry
AU G.Meloni, L.M.Thomson, and K.A.Gingerich
PP 4496-4501

TE Microwave spectrum of the CH_{3}CCS radical in the ^{2}E_{3/2}
electronic ground state
AU Hideta Habara and Satoshi Yamamoto
PP 4502-4507

TE Vibrational relaxation of Ne, Ar, Kr-HF (v=1) binary complexes
in helium nanodroplets
AU K.Nauta and R.E.Miller
PP 4508-4514

TE The reactions CH_{n}D_{4-n}+OH-->P and CH_{4}+OD-->CH_{3}+HOD as
a test of current direct dynamics multicoefficient methods to
determine variational transition state rate constants. II
AU Laura Masgrau, Angels Gonzalez-Lafont, and Jose M.Lluch
PP 4515-4526

TE Cold and ultracold ion-neutral inelastic collisions: Spin-orbit
relaxation in He+Ne^{+}
AU P.E.Siska
PP 4527-4533

TE Forward scattering in the H+D_{2}-->HD+D reaction: Comparison
between experiment and theoretical predictions
AU Felix Fernandez-Alonso, Brian D.Bean, Richard N.Zare, F.J.Aoiz,
Luis Ban~ares, and Jesus F.Castillo
PP 4534-4545

TE An exact quantum Monte Carlo calculation of the helium-helium
intermolecular potential. II
AU James B.Anderson
PP 4546-4548

TE Application of higher order decouplings of the dilated electron
propagator to ^{2}Pi CO^{-}, ^{2}Pi_{g} N_{2}^{-} and ^{2}Pi_{g}
C_{2}H_{2}^{-} shape resonances
AU S.Mahalakshmi, Arun Venkatnathan, and Manoj K.Mishra
PP 4549-4557

TE Ab initio study of the lower few states of FeH: Application of
the multireference coupled pair approximation
AU Kiyoshi Tanaka, Masahiro Sekiya, and Megumu Yoshimine
PP 4558-4564

TE Zero electron kinetic energy photoelectron spectroscopy of weakly bound
In-NH_{2}CH_{3}, In-NH(CH_{3})_{2}, and In-N(CH_{3})_{3} complexes
AU Gretchen K.Rothschopf, Shenggang Li, Jimmye Shannon Perkins,
and Dong-Sheng Yang
PP 4565-4572

TE Empirical potentials for rovibrational energy transfer of
hydrogen fluoride in collisions with argon
AU Robert M.Shroll, Lawrence L.Lohr, and John R.Barker
PP 4573-4585

TE The branching ratio between reaction and relaxation in the removal of H_{2}O 
from its |04>^{-} vibrational state in collisions with H atoms
AU Peter W.Barnes, Ian R.Sims, Ian W.M.Smith, Gyoergy Lendvay, 
and George C.Schatz
PP 4586-4592

TE Molecule frame photoelectron angular distributions from oriented
methyl chloride and methyl fluoride molecules
AU Yasumasa Hikosaka, John H.D.Eland, Tim M.Watson, and Ivan Powis
PP 4593-4603

TE Guanine tautomerism revealed by UV-UV and IR-UV hole burning spectroscopy
AU E.Nir, Ch.Janzen, P.Imhof, K.Kleinermanns, and M.S.de Vries
PP 4604-4611

TE Photodissociation studies of microsolvated metal cation
complexes Mg^{+}(NCCH_{3})_{n} (n=1-4)
AU Haichuan Liu, Wenyue Guo, and Shihe Yang
PP 4612-4619

TE Photoelectron spectroscopy of GaX_{2}^{-}, Ga_{2}X^{-},
Ga_{2}X_{2}^{-}, and Ga_{2}X_{3}^{-}(X=P,As)
AU Travis R.Taylor, Harry Gomez, Knut R.Asmis, and Daniel M.Neumark
PP 4620-4631

TE Matrix-isolation investigation of the diatomic anion radicals of aluminum and 
gallium (Al_{2}^{-} and Ga_{2}^{-}): An electron
spin resonance and ab initio theoretical study
AU Ashley C.Stowe, John G.Kaup, Lon B.Knight, Jr., Jeffrey R.Davis,
and Allan J.McKinley
PP 4632-4639

TE Accurate first-derivative nonadiabatic couplings for the H_{3} system
AU Ravinder Abrol, Amy Shaw, Aron Kuppermann, and David R.Yarkony
PP 4640-4659

TE Small-angle neutron scattering from supercritical heavy water at
off-critical densities
AU M.Bonetti, P.Calmettes, and C.Bervillier
PP 4660-4669

TE Harmonic collective modes in atomic liquids
AU Dimitri Antoniou and Steven D.Schwartz
PP 4670-4675

TE The bridge functions of molten salts
AU Cetin Tasseven, Luis Enrique Gonzalez, Moises Silbert,
Olga Alcaraz, and Joaquim Trullas
PP 4676-4680

TE A dynamic light scattering study of the hypersonic relaxation in
liquid toluene
AU J.E.F.Rubio, V.G.Baonza, M.Taravillo, J.Nun~ez, and M.Caceres
PP 4681-4688

TE Temperature and density dependent solute vibrational relaxation
in supercritical fluoroform
AU D.J.Myers, Motoyuki Shigeiwa, Binny J.Cherayil, and M.D.Fayer
PP 4689-4695

TE Dissipative wave-packet dynamics and electron transfer
AU Andreas Lucke and Joachim Ankerhold
PP 4696-4707

TE Time-dependent density functional theory for molecules in liquid
solutions
AU Maurizio Cossi and Vincenzo Barone
PP 4708-4717

TE Ferroelectric order in positionally frozen dipolar systems
AU S.H.L.Klapp and G.N.Patey
PP 4718-4731

TE Rotational dynamics of coumarins in nonassociative solvents: Point dipole 
versus extended charge distribution models of dielectric friction
AU G.B.Dutt, G.Rama Krishna, and Sumathi Raman
PP 4732-4741

TE Mechanism of proton transfer in ice. II. Hydration, modes, and
transport
AU Chigusa Kobayashi, Shinji Saito, and Iwao Ohmine
PP 4742-4749

TE A study of aqueous solutions of lanthanide ions by molecular
dynamics simulation with ab initio effective pair potentials
AU Franca Maria Floris and Alessandro Tani
PP 4750-4765

TE Hard sphere perturbation theory for thermodynamics of soft-sphere model
liquid
AU K.K.Mon
PP 4766-4769

TE Determination of pair-potential parameters from experimental
structure factors
AU Gergely Toth
PP 4770-4775

TE Interaction of short-chain alkane thiols and thiolates with
small gold clusters: Adsorption structures and energetics
AU Daniel Krueger, Harald Fuchs, Roger Rousseau, Dominik Marx,
and Michele Parrinello
PP 4776-4786

TE Positron annihilation inside C_{60}
AU Yutaka Ito, Yoshihiro Iwasa, Nguen Mahn Tuan, and Shin-ichi Moriyama
PP 4787-4790

TE Properties of CO adsorbed in ZSM5 zeolite: Density functional theory study 
using the embedding scheme based on electron density partitioning
AU T.A.Wesolowski, A.Goursot, and J.Weber
PP 4791-4797

TE Periodic Hartree-Fock study of the adsorption of molecular
oxygen on a reduced TiO_{2} (110) surface
AU M.P.de Lara-Castells and Jeffrey L.Krause
PP 4798-4810

TE Effects of morphology on the low-energy electron stimulated
desorption of O^{-} from O_{2} deposited on benzene and water ices
AU A.D.Bass, L.Parenteau, F.Weik, and L.Sanche
PP 4811-4818

TE Photodissociation of ICN at the liquid/vapor interface of chloroform
AU John Vieceli, Ilya Chorny, and Ilan Benjamin
PP 4819-4828

TE Stochastic model of CO oxidation on platinum surfaces and
deterministic limit
AU Christian Reichert, Jens Starke, and Markus Eiswirth
PP 4829-4838

TE On the orientational effects in monolayers of diatomic molecules
AU A.Patrykiejew, A.Salamacha, S.Sokolowski, T.Zientarski, and K.Binder
PP 4839-4849

TE Brownian dynamics simulations of ions channels: A general treatment of 
electrostatic reaction fields for molecular pores of arbitrary geometry
AU Wonpil Im and Benoit Roux
PP 4850-4861

TE Associating polyelectrolyte solutions: Normal and anomalous
reversible gelation
AU Igor I.Potemkin, Stepan A.Andreenko, and Alexei R.Khokhlov
PP 4862-4872

TE Copolymer adsorption on planar substrates with a random
distribution of chemical heterogeneities
AU Jan Genzer
PP 4873-4882

TE A Monte Carlo simulation of nucleation in amphiphilic solution
AU Isamu Kusaka and David W.Oxtoby
PP 4883-4889

TE New statistical mechanical treatment of systems near surfaces.
V. Incompressible blend of interacting polydisperse linear polymers
AU Richard Batman, Mukesh Chhajer, and P.D.Gujrati
PP 4890-4903

TE The static dielectric constant of a colloidal suspension
AU C.-Y.D.Lu
PP 4904-4908

TE Characterizing the function of unstructured proteins:
Simulations of charged polymers under confinement
AU Joanne N.Bright, Mark.J.Stevens, Jan Hoh, and Thomas B.Woolf
PP 4909-4918

TE Tuning the optical properties of thiophene oligomers toward
infrared emission: A theoretical study
AU G.Daminelli, J.Widany, A.Di Carlo, and P.Lugli
PP 4919-4923

TE Relaxation of disordered polymer networks: Regular lattice made
up of small-world Rouse networks
AU A.A.Gurtovenko and A.Blumen
PP 4924-4929

TE Calculation of the free energy of polymeric systems in terms of
compositional and orientational order parameters
AU Jun-ichi Fukuda and Hiroshi Yokoyama
PP 4930-4937

TE Molecular dynamics simulation of NMR relaxation rates and slow
dynamics in lipid bilayers
AU Erik Lindahl and Olle Edholm
PP 4938-4950

TE Polyelectrolyte adsorption on charged particles: Ionic
concentration and particle size effects-A Monte Carlo approach
AU Pierre Chodanowski and Serge Stoll
PP 4951-4960

TE Effect of tacticity on the segmental dynamics of polypropylene
melts investigated by ^{13}C nuclear magnetic resonance
AU S.M.Lippow, XiaoHua Qiu, and M.D.Ediger
PP 4961-4965

LETTERS TO THE EDITOR

TE Erratum: "Thermochemistry of disulfur decafluoride, S_{2}F_{10}"
[J. Chem. Phys., v.103, 10162 (1995)]
AU Karl K.Irikura
PP 4966