Journal of Chemical Physics, 2000, V 113, N 8, 22 August.

TE Ultrafast interfacial charge separation processes from the
singlet and triplet MLCT states of Ru(bpy){_2} (dcbpy) adsorbed
on nanocrystalline SnO{_2} under negative applied bias
AU Shinichiro Iwai, Kohjiro Hara, Shigeo Murata, Ryuzi Katoh,
Hideki Sugihara, and Hironori Arakawa

TE Melting and crystallization in thin film of n-alkanes: A
molecular dynamics simulation
AU Thoru Shimizu and Takashi Yamamoto

TE On the triplet-structure of binary liquids
AU S.Jorge, G.Kahl, E.Lomba, and J.L.F.Abascal

TE Dipole-induced ordering in nematic liquid crystals II. The
elusive holy grail
AU Raymond T.Syvitski and E.Elliott Burnell

TE Diffusion-assisted reaction through a fluctuating bottleneck
AU Kazuhiko Seki and M.Tachiya

TE Semiclassical law for the apparent viscosity of non-Newtonian
fluids. An analogy between thixotropy of fluids and sintering of
solids
AU Stefano A.Mezzasalma

TE Fluctuation formulas in molecular dynamics simulations with the
weak coupling heat bath
AU Tetsuya Morishita

TE An analytical solution of the stochastic master equation for
reversible bimolecular reaction kinetics
AU Ian J.Laurenzi

TE Validity of linear analysis in early-stage spinodal
decomposition of a polymer mixture
AU Masaki Hayashi, Hiroshi Jinnai, and Takeji Hashimoto

TE Free energy screening of small ligands binding to an artificial
protein cavity
AU Shinichi Banba and Charles L.Brooks, III

TE Designability of a protein chain in an off-lattice heteropolymer
model
AU Haojun Liang

TE Structure and dynamics of nonaqueous mixtures of dipolar
liquids. Part II: Molecular dynamics simulations
AU Dean S.Venables and Charles A.Schmuttenmaer

TE Structure and dynamics of nonaqueous mixtures of dipolar
liquids. Part I: Infrared and far-infrared spectroscopy
AU Dean S.Venables, Allan Chiu, and Charles A.Schmuttenmaer

TE Effect of three-body forces on the phase behavior of charged
colloids
AU J.Z.Wu, D.Bratko, H.W.Blanch, and J.M.Prausnitz

TE Two-pulse echo experiments in the spectral diffusion regime
AU Mark A.Berg, Kirk D.Rector, and Michael D.Fayer

TE The effect of anisotropy on the second virial coefficient of
H{_2}
AU Allan H.Harvey and Matthew P.Hodges

TE Effect of initial conformation, flow strength and hydrodynamic
interaction on polymer molecules in extensional flows
AU U.S.Agarwal

TE Dielectric relaxation in poly(styrene-b-butadiene) copolymers
with perfluorinated side chains
AU G.Floudas, M.Antonietti, and S.Foerster

TE Anharmonic effects in photo-induced electron transfer
AU Deborah G.Evans

TE Non-random behavior of amphiphilic dimers in solution
AU D.-W.Wu, G.L.Aranovich, and M.D.Donohue

TE Glass transition relaxation and fragility in the molecular glass
forming m-toluidine: A study by thermally stimulated
depolarisation currents
AU Natalia T.Correia, Cristina Alvarez, Joaquim J.Moura Ramos,
and Marc Descamps

TE Analysis of water-ethanol nucleation rate data with two
component nucleation theorems
AU Hanna Vehkamaeki and Ian J.Ford

TE Unexpected differential sensitivity of nuclear spinspin coupling
constants to bond stretching in BH{_4}{^-}, NH{_4}{^+} and
SiH{_4}
AU Stephen P.A.Sauer and William T.Raynes

TE The structure and spectroscopy of monolayers of water on MgO: An
ab initio study
AU L.Delle Site, A.Alavi, and R.M.Lynden-Bell

TE Structure of the exact wave function
AU Hiroshi Nakatsuji

TE Applications of a variational coupled-electron pair approach to
the calculation of intermolecular interaction in the framework
of the VB theory: Study of the van der Waals complex He-CH{_4}
AU Roberto Specchio, Antonino Famulari, Rocco Martinazzo,
and Mario Raimondi

TE Erratum: An accurate H{_2}-H{_2} interaction potential from
first principles [J. Chem. Phys. 112, 4465 (2000)]
AU Phong Diep and J.Karl Johnson

TE The ONIOM (our Own N-layered Integrated molecular Orbital +
molecular Mechanics) method for the first singlet excited
(S{_1}) state photoisomerization path of a retinal protonated
Schiff base
AU Thom Vreven and Keiji Morokuma

TE On the optimal choice of monomer geometry in calculations of
intermolecular interaction energies. Rovibrational spectrum of
Ar-HF from two- and three-dimensional potentials
AU Malgorzata Jeziorska, Piotr Jankowski, Krzysztof Szalewicz,
and Bogumil Jeziorski

TE Ab initio study of the electric-field-gradientinduced
birefringence of a polar molecule: CO
AU Antonio Rizzo, Sonia Coriani, Asger Halki and Christof Hattig

TE Nuclear shielding constants by density functional theory with
gauge including atomic orbitals
AU Trygve Helgaker, Philip J.Wilson, Roger D.Amos,
and Nicholas C.Handy

TE The He-OCS Van del Waals potential from model calculations:
Bound states, stable structures and vibrational couplings
AU F.A.Gianturco and F.Paesani

TE A new potential surface and quasiclassical trajectory study of
H+H{_2}O --> OH+H{_2}
AU Guo-sheng Wu, George C.Schatz, G.Lendvay, De-Cai Fang,
and L.B.Harding

TE Luminescence of Eu(fod){_3} in a homologic series of simple
alcohols
AU Frank J.P.Schuurmans and Ad Lagendijk

TE Dual Lanczos simulation of dynamic NMR spectra for systems with
many spins or exchange sites
AU Randall S.Dumont, Paul Hazendonk, and Alex Bain

TE Accuracy of the energy partitioning data obtained by classical
trajectory calculations on potential energy surfaces constructed
by interpolation. H{_2}CO --> H{_2} + CO as an example
AU Bong June Sung and Myung Soo Kim

TE A classical ensemble model of three-body collisions in the point
contact approximation and application to alignment effects in
near-resonant energy transfer collisions of He atoms with
Rydberg Ca atoms
AU Neil E.Shafer-Ray, Michael A.Morrision, and Gregory A.Parker

TE Rigorous solutions of diatomic molecule oscillator with
empirical potential function in phase space
AU Qian-Shu Li and Jun Lu

TE The study of the influence of Jahn-Teller coupling and low
symmetry strain on the anomalous EPR spectrum of titanium(III)
doped CsAl(SO{_4}){_2}{^.}12H{_2}O
AU Philip L.W.Tregenna-Piggott, Christopher J.Noble,
and John R.Pilbrow

TE Associative formation of Rydberg state clusters from collisions
between a Rydberg state species and a ground state neutral atom
AU Xianzhao Peng, James E.Abbott, and Wei Kong

TE A reaction-path Hamiltonian described with quasi-rectilinear
vibrational coordinates constructed from a nonlinear combination
of curvilinear internal coordinates: Application to examination
of the reaction CH{_4} + F --> CH{_3} + HF
AU Yoshishige Okuno, Shiyoshi Yokoyama, and Shinro Mashiko

TE A reaction-path Hamiltonian described with quasirectilinear
vibrational coordinates constructed from a nonlinear combination
of curvilinear internal coordinates: Formulation
AU Yoshishige Okuno

TE The CO dimer millimeter wave spectrum detection of tunneling
transitions
AU Daniel A.Roth, Leonid A.Surin, Boris S.Dumesh,
Gisbert Winnewisser, and Igor Pak

TE Collisional quenching of CO B{^1}{SIGMA}{^+}({nu}'=0) probed by
two-photon laser induced fluorescence using a picosecond laser
AU F.Di Teodoro, J.E.Rehm, R.L.Farrow, and P.H.Paul

TE Photo-induced reactions in mass-selected complexes
Mg{^+}(FCH{_3}){_n}, n=1-4
AU Xin Yang, Haichuan Liu, and Shihe Yang

TE Combination band spectroscopy of H{_3}{^+}
AU Benjamin J.McCall and Takeshi Oka

TE Comment on: A comment on dielectric hole burning [J. Chem. Phys.
111, 1043 (1999)]
AU O Kircher, R.V.Chamberlin, G.Diezemann, and R.Bohmer

TE Direct potential fit analysis of the X{^1}{SIGMA}{^+}{_g} state
of Rb{_2}: Nothing else will do
AU Jenning Y.Seto, Robert J.Le Roy, Jean Verges, and Claude Amiot

TE Metastable states of negative carbon clusters: C{^-}{_n}, n=2-6
AU A.Naaman, K.G.Bhushan, H.B.Pedersen, N.Altstein, O.Heber,
M.L.Rappaport, R.Moalem, and D.Zajfman

TE Fourier transform spectroscopy of BaO: New ground-state
constants from the A{^1}{SIGMA}{^+}-X{^1}{SIGMA}{^+}
chemiluminescence
AU Hongzhi Li, Cristian Focsa, Bernard Pinchemel, Robert J.Le Roy,
and P.F.Bernath

TE Hydrogen dynamics in [Me(H{_2}O){_6}](Cl0{_4}){_2} with Me = Mg,
Mn, Fe, Ni and Zn investigated with quasielastic neutron
scattering
AU C.Noldeke, B.Asmussen, W.Press, H.Buttner, G.Kearley,
R.E.Lechner, and B.Ruffle

TE Dynamics of the vibrational predissociation of HCl dimer
AU Hong Ni, Joseph Serafin, and James J.Valentini

TE The dissociative recombination of hydrocarbon ions. III.
Methyl-substituted benzene ring compounds
AU C.Rebrion-Rowe, T.Mostefaoui, S.Laube, and J.B.A.Mitchell

TE Characterization of nitrogen-containing radical products from
the photodissociation of trimethylamine at 193 nm using
photoionization detection
AU Nancy R.Forde, Laurie J.Butler, Branko Ruscic, Osman Sorkhabi,
Fei Qi, and Arthur Suits

TE Product state resolved stereodynamics: Rotational polarization
of OH({^2}{PI};{nu}',N',{OMEGA},f) scattered from the reaction,
H + CO{_2} --> OH + CO
AU M.Brouard, I.Burak, D.W.Hughes, K.S.Kalogerakis, J.P.Simons,
and V.Stavros

TE The H + N{_2}O --> OH({^2}{PI}{_{OMEGA}},{nu}',N') + N{_2}
reaction: OH rotational angular momentum polarization
AU M.Brouard, S.D.Gatenby, D.M.Joseph, and C.Vallance

TE Erratum: Energetic and structural features of the CH{_4} +
O({^3}P) --> CH{_3} + OH abstraction reaction: Does perturbation
theory from a multiconfiguration reference state (finally)
provide a balanced treatment
AU of transition states? [J.Chem.Phys.111,
10046 (1999)] Orlando Roberto-Neto, Francisco B.C.Machado,
and Donald G.Truhlar

TE Erratum: Infinite basis limits in electronic structure theory
[J. Chem. Phys. 111, 2921 (1999)]
AU Patton L.Fast, Maria L.Sanchez, and Donald G.Truhlar

TE Erratum: Density functional solvation model based on CM2 atomic
charges [J. Chem. Phys. 109, 9117 (1998) 111, 5624(E) (1999)]
AU Tianhai Zhu, Jiabo Li, Gregory D.Hawkins, Christopher J.Cramer,
and Donald G.Truhlar

TE Erratum: What is the best semiclassical method for photochemical
dynamics of systems with conical intersections? [J. Chem. Phys.
109, 3321 (1998), 110687(E) (1999)]
AU Maria S.Topaler, Thomas C.Allison, David W.Schwenke,
and Donald G.Truhlar

TE Erratum: Quantum free-energy calculations: A three-dimensional
test case [J. Chem. Phys. 97, 3668 (1992)]
AU Robert Q.Topper, Gregory J.Tawa, and Donald G.Truhlar

TE Photoisomerization reaction of CH{_2}BrI following A-band and
B-band photoexcitation in the solution phase: Transient
resonance Raman observation of the iso-CH{_2}I-Br photoproduct
AU Xuming Zheng and David Lee Phillips

TE The pure rotational spectrum of CaNH{_2} and CaND{_2}
(X{^~2}A{_1}): Additional proof of planarity
AU M.A.Brewster and L.M.Ziurys

TE An alternative way of thinking about electron transfer in
proteins: Proton assisted electron transfer between the primary
and secondary quinones in photosynthetic reaction centers
AU Andrea Peluso, Mariangela Di Donato, and Gloria Anna Ada Saracino

TE Hydride abstraction by NO{^+} from ethanol: Effects of collision
energy and ion rotational state
AU Richard J.Green, Jun Qian, Ho-Tae Kim, and Scott L.Anderson

TE Structures and vibrations of phenol (NH{_3}){_2-4} clusters
AU M.Schmitt, Ch.Jacoby, M.Gerhards, C.Unterberg, w.Roth,
and K.Kleinermanns