Journal of Chemical Physics, 2000, V 113, N 15, 15 October.

TE Construction of an accurate potential energy surface by
interpolation with Cartesian weighting coordinates
AU Young Min Rhee
PP 6021-6024

TE Dielectric relaxation of hot water
AU Chia-Ning Yang and Hyung J.Kim
PP 6025-6028

ARTICLES


TE The role of the local-multiplicative Kohn-Sham 
potential on the
description of occupied and unoccupied orbitals
AU Jorge Garza, Jeffrey A.Nichols, and David A.Dixon
PP 6029-6034

TE Linear scaling density matrix search based on sign matrices
AU Karoly Nemeth and Gustavo E.Scuseria
PP 6035-6041

TE Multidimensional replica-exchange method for free-energy
calculations
AU Yuji Sugita, Akio Kitao, and Yuko Okamoto
PP 6042-6051

TE Spin-contamination of coupled-cluster wave functions
AU Anna I.Krylov
PP 6052-6062

TE Algebraic force-field Hamiltonian expansion approach to linear
polyatomic molecules
AU Tokuei Sako, Daisuke Aoki, Kaoru Yamanouchi,
and Francesco Iachello
PP 6063-6069

TE Theory of solutions in the energetic representation. I.
Formulation
AU Nobuyuki Matubayasi and Masaru Nakahara
PP 6070-6081

TE Ab initio group model potentials including electron correlation
effects
AU Norge Cruz Hernandez and Javier Fdez.Sanz
PP 6082-6087

TE Non-Hermitian formulation of interference effect in scattering
experiments
AU Edvardas Narevicius and Nimrod Moiseyev
PP 6088-6095

TE From small to large behavior: The transition from the aromatic
to the Peierls regime in carbon rings
AU Eric J.Bylaska, Ryoichi Kawai, and John H.Weare
PP 6096-6106

TE Photodissociation of CF_{2}==CFCl at 193 nm by translational
spectroscopy
AU Y.R.Lee, L.D.Wang, Y.T.Lee, and S.M.Lin
PP 6107-6112

TE Applying diatomic in molecules in excited electronic state
calculations for flexible polyatomic molecules. The I_{3}
molecule
AU C.J.Margulis and D.F.Coker
PP 6113-6121

TE Ab initio investigations of
Li^{-}+nH_{2}-->LiH_{2}^{-}(H_{2})_{n-1},n=1-3
AU Stephanie B.Sharp and Gregory I.Gellene
PP 6122-6131

TE Controlling molecular alignment rephasing through interference
of Raman-induced rotational coherence
AU E.Hertz, O.Faucher, B.Lavorel, and R.Chaux
PP 6132-6138

TE A molecular orbital study on H and H_{2} elimination pathways
from methane, ethane, and propane
AU Stephan Irle and Keiji Morokuma
PP 6139-6148

TE Direct ab initio dynamics studies of N+H_{2}<-NH+H reaction
AU Shaowen Zhang and Thanh N.Truong
PP 6149-6153

TE Positron and positronium chemistry by quantum Monte Carlo. V.
The ground state potential energy curve of e^{+}LiH
AU Massimo Mella, Gabriele Morosi, Dario Bressanini,
and Stefano Elli
PP 6154-6159

TE Structures, vibrational frequencies, and infrared spectra of the
hexa-hydrated benzene clusters
AU Jin Yong Lee, Jongseob Kim, Han Myoung Lee, P.Tarakeshwar,
and Kwang S.Kim
PP 6160-6168

TE Transition probability of Cu I, Ag I, and Au I from weakest
bound electron potential model theory
AU Nengwu Zheng, Tao Wang, and Ruyi Yang
PP 6169-6173

TE On the ultraviolet photofragmentation of hydrogen iodide
AU Aleksey B.Alekseyev, Heinz-Peter Liebermann, Daria B.Kokh,
and Robert J.Buenker
PP 6174-6185

TE Quantum scattering calculations of the O(^{1}D)+HCl reaction
using a new ab initio potential and extensions of J-shifting
AU Martina Bittererova, Joel M.Bowman, and Kirk Peterson
PP 6186-6196

TE Laser control of molecular photodissociation with use of the
complete reflection phenomenon
AU Kuninobu Nagaya, Yoshiaki Teranishi, and Hiroki Nakamura
PP 6197-6209

TE State-to-state studies of ground state NH(X
^{3}Sigma^{-},v=0,J,N)+Ne
AU Jan Leo Rinnenthal and Karl-Heinz Gericke
PP 6210-6226

TE Doppler-free UV-visible optical-optical double resonance
polarization spectroscopy of the 2 ^{1}Sigma_{u}^{+} double
minimum state and the C ^{1}Pi_{u} state of Li_{2}
AU Shunji Kasahara, Pawel Kowalczyk, Md.Humayun Kabir,
Masaaki Baba, and Hajime Kato
PP 6227-6234

TE Static electric properties of conjugated cyclic ketones and
thioketones
AU Udo Eckart, Markus P.Fuelscher, Luis Serrano-Andres,
and Andrzej J.Sadlej
PP 6235-6244

TE Nature of binding in the alkaline-earth clusters: Be_{3},
Mg_{3}, and Ca_{3}
AU Ilya G.Kaplan, Szczepan Roszak, and Jerzy Leszczynski
PP 6245-6252

TE A quasiclassical trajectory study of the H+HCN-->H_{2}+CN
reaction dynamics
AU Diego Troya, Irene Ban~os, Miguel Gonzalez, Guosheng Wu,
Marc A.ter Horst, and George C.Schatz
PP 6253-6263

TE Coarse graining of nonbonded inter-particle potentials using
automatic simplex optimization to fit structural properties
AU Hendrik Meyer, Oliver Biermann, Roland Faller, Dirk Reith,
and Florian Mueller-Plathe
PP 6264-6275

TE Simulations of the nucleation of AgBr from solution
AU Joel D.Shore, Dennis Perchak, and Yitzhak Shnidman
PP 6276-6284

TE ^{1}H spin dynamics obtained from off-resonant decoupling in a
^{13}C-NMR signal
AU Patricia R.Levstein, Gonzalo Usaj, Horacio M.Pastawski,
Jesus Raya, and Jerome Hirschinger
PP 6285-6287

TE The ejection distribution of solvated electrons generated by the
one-photon photodetachment of aqueous I^{-} and two-photon
ionization of the solvent
AU J.A.Kloepfer, V.H.Vilchiz, V.A.Lenchenkov, A.C.Germaine,
and S.E.Bradforth
PP 6288-6307

TE A multiconfiguration self-consistent field/molecular dynamics
study of the (n-->pi^{*})^{1} transition of carbonyl compounds
in liquid water
AU M.E.Martin, M.L.Sanchez, F.J.Olivares del Valle, and M.A.Aguilar
PP 6308-6315

TE Restricted primitive model of dianions and counterions within
the mean spherical approximation: Integral equation and
thermodynamic perturbation theory
AU N.von Solms and Y.C.Chiew
PP 6316-6324

TE Correlation between the roughness degree of a protein surface
and the mobility of solvent molecules on the surface
AU Jun-Ho Choi and Sangyoub Lee
PP 6325-6329

TE Anomalous infrared transmission of adsorbates on ultrathin metal
films: Fano effect near the percolation threshold
AU Oliver Krauth, Gerhard Fahsold, Norbert Magg, and Annemarie Pucci
PP 6330-6333

TE Adsorption dynamics of CO on the polar surfaces of ZnO
AU Th.Becker, M.Kunat, Ch.Boas, U.Burghaus, and Ch.Woell
PP 6334-6343

TE Fast relaxation, boson peak, and anharmonicity in
Li_{2}O-B_{2}O_{3} glasses
AU S.Kojima, V.N.Novikov, and M.Kodama
PP 6344-6350

TE On the theory of electron transfer reactions at
semiconductor/liquid interfaces. II. A free electron model
AU Yi Qin Gao and R.A.Marcus
PP 6351-6360

TE Growth of organic ultrathin films studied by Penning ionization
electron and ultraviolet photoelectron spectroscopies: Pentacene
AU Hiroyuki Ozaki
PP 6361-6375

TE Reorganization of adsorbed films by coadsorbing species
AU S.Roke, J.M.Coquel, and A.W.Kleyn
PP 6376-6381

TE Molecular dynamics study of the solid-liquid interface
AU P.Geysermans, D.Gorse, and V.Pontikis
PP 6382-6389

TE Water ordering around methane during hydrate formation
AU Carolyn A.Koh, Robert P.Wisbey, Xiaoping Wu, Robin E.Westacott,
and Alan K.Soper
PP 6390-6397

TE Vacancy-assisted domain growth in amphiphilic systems: Monte
Carlo simulation
AU Ji-wen Liu and Yu-qiang Ma
PP 6398-6403

TE Pressure in a micellized solution
AU J.N.B.de Moraes, W.Figueiredo, and Vera B.Henriques
PP 6404-6408

TE Coarse-grained dynamics of one chain in a polymer melt
AU Reinier L.C.Akkermans and W.J.Briels
PP 6409-6422

TE Block copolymer thin films on corrugated substrates
AU Iulia Podariu and Amitabha Chakrabarti
PP 6423-6428

TE Theoretical investigation on dynamics of
photopolymerization-induced phase separation and morphology
development in nematic liquid crystal/polymer mixtures
AU Domasius Nwabunma, Hao-Wen Chiu, and Thein Kyu
PP 6429-6436

TE Geometry selects highly designable structures
AU V.Shahrezaei and M.R.Ejtehadi
PP 6437-6442

TE Chaining in magnetic colloids in the presence of flow
AU I.Perez-Castillo, A.Perez-Madrid, J.M.Rubi, and G.Bossis
PP 6443-6448

LETTERS TO THE EDITOR


TE Comment on "A comment on dielectric hole burning" [J. Chem.
Phys., v.111, 1043 (1999)]
AU O.Kircher, R.V.Chamberlin, G.Diezemann, and R.Boehmer
PP 6449-6450

TE Erratum: "Molecular dynamics study of vibrational energy
relaxation of CN^{-} in H_{2}O and D_{2}O solutions: An
application of path integral influence functional theory to
multiphonon processes" [J. Chem. Phys., v.111, 5390 (1999)]
AU Motoyuki Shiga and Susumu Okazaki
PP 6451-6452