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

 
TE Evidence of a dihydrogen bond in gas phase:
Phenol-borane-dimethylamine complex
AU G.Naresh Patwari, Takayuki Ebata, and Naohiko Mikami
PP 9885-9888

TE Exploring the OH+CO reaction coordinate via infrared
spectroscopy of the OH-CO reactant complex
AU Marsha I.Lester, Bethany V.Pond, David T.Anderson,
Lawrence B.Harding, and Albert F.Wagner
PP 9889-9892

TE Separation of cascaded and direct fifth-order Raman signals
using phase-sensitive intrinsic heterodyne detection
AU O.Golonzka, N.Demirdoeven, M.Khalil, and A.Tokmakoff
PP 9893-9896

TE Dynamics of harpooning studied by transition state spectroscopy.
II. Li--FH
AU A.J.Hudson, H.B.Oh, J.C.Polanyi, and P.Piecuch
PP 9897-9900

TE A climbing image nudged elastic band method for finding saddle
points and minimum energy paths
AU Graeme Henkelman, Blas P.Uberuaga, and Hannes Jonsson
PP 9901-9904

ARTICLES


TE Intermediate Hamiltonian Fock-space coupled-cluster method:
Excitation energies of barium and radium
AU Arie Landau, Ephraim Eliav, Yasuyuki Ishikawa, and Uzi Kaldor
PP 9905-9910

TE Overdamped Brownian motion in periodic symmetric potentials
AU A.C.Branka, A.K.Das, and D.M.Heyes
PP 9911-9919

TE Reorientational angle distribution and diffusion coefficient for
nodal and cylindrical surfaces
AU D.Plewczynski and R.Holyst
PP 9920-9929

TE Densities of states in gases, liquids, and solids
AU Douglas Poland
PP 9930-9939

TE Electric field effects on the ionic-neutral curve crossing of
alkali halide molecules
AU Carmen Sousa, David Dominguez-Ariza, Coen de Graaf,
and Francesc Illas
PP 9940-9947

TE Basis set approach to the quantum dissipative dynamics:
Application of the multiconfiguration time-dependent Hartree
method to the spin-boson problem
AU Haobin Wang
PP 9948-9956

TE An improved ab initio relativistic zeroth-order regular
approximation correct to order 1/c^{2}
AU Wim Klopper, Joop H.van Lenthe, and Alf C.Hennum
PP 9957-9965

TE Reduced multireference coupled cluster method: Ro-vibrational
spectra of N_{2}
AU Xiangzhu Li and Josef Paldus
PP 9966-9977

TE Improved tangent estimate in the nudged elastic band method for
finding minimum energy paths and saddle points
AU Graeme Henkelman and Hannes Jonsson
PP 9978-9985

TE Low-order scaling local electron correlation methods. III.
Linear scaling local perturbative triples correction (T)
AU Martin Schuetz
PP 9986-10001

TE Excited state localization in organic molecules consisting of
conjugated and nonconjugated segments
AU E.Zojer, P.Buchacher, F.Wudl, J.Cornil, J.Ph.Calbert,
J.L.Bredas, and G.Leising
PP 10002-10012

TE New tau-dependent correlation functional combined with a
modified Becke exchange
AU E.Proynov, H.Chermette, and D.R.Salahub
PP 10013-10027

TE Time dependent quantum propagation in phase space
AU Dmitrii V.Shalashilin and Mark S.Child
PP 10028-10036

TE Linear scaling computation of the Fock matrix. V. Hierarchical
Cubature for numerical integration of the exchange-correlation
matrix
AU Matt Challacombe
PP 10037-10043

TE Angular distributions of scattered electrons from gaseous
benzene molecules
AU F.A.Gianturco and Robert R.Lucchese
PP 10044-10050

TE Resonant two-photon ionization and laser induced fluorescence
spectroscopy of jet-cooled adenine
AU Nam Joon Kim, Gawoon Jeong, Yung Sam Kim, Jiha Sung,
Seong Keun Kim, and Young Dong Park
PP 10051-10055

TE Inhomogeneous speed effects on H_{2} vibrational line profiles
in ternary mixtures
AU P.Joubert, X.Bruet, J.Bonamy, D.Robert, F.Chaussard,
R.Saint-Loup, and H.Berger
PP 10056-10061

TE Ab initio molecular dynamics studies of the photodissociation of
formaldehyde, H_{2}CO-->H_{2}+CO: Direct classical trajectory
calculations by MP2 and density functional theory
AU Xiaosong Li, John M.Millam, and H.Bernhard Schlegel
PP 10062-10067

TE Intramolecular energy transfer in highly vibrationally excited
methanol. IV. Spectroscopy and dynamics of ^{13}CH_{3}OH
AU Andrei Chirokolava, David S.Perry, O.V.Boyarkin, M.Schmid,
and T.R.Rizzo
PP 10068-10072

TE Photodissociation of H_{2}O at 121.6 nm: A state-to-state
dynamical picture
AU Steven A.Harich, Dennis W.H.Hwang, Xuefeng Yang, Jim J.Lin,
Xueming Yang, and Richard N.Dixon
PP 10073-10090

TE The role of conical intersections in the nonadiabatic quenching
of OH(A ^{2}Sigma^{+}) by molecular hydrogen
AU Brian C.Hoffman and David R.Yarkony
PP 10091-10099

TE Evaluating free energy, enthalpy, and entropy of protonated
water clusters by a grand canonical Monte Carlo simulation
AU Isamu Kusaka and David W.Oxtoby
PP 10100-10104

TE Time-dependent quantum wave packet studies of the F+HCl and
F+DCl reactions
AU Bi-Yu Tang, Ben-Hui Yang, Ke-Li Han, Rui-Qin Zhang,
and John Z.H.Zhang
PP 10105-10113

TE Electron-pair momentum densities of heavy atoms Cs through Lr
AU Toshikatsu Koga and Hisashi Matsuyama
PP 10114-10120

TE Intermolecular potential-energy surface for the
Ar-SH(^{2}Pi_{i}) complex studied by Fourier-transform microwave
spectroscopy
AU Yoshihiro Sumiyoshi, Yasuki Endo, and Yasuhiro Ohshima
PP 10121-10129

TE Time evolution of reactants, intermediates, and products in the
vibrational predissociation of Br_{2}...Ne: A theoretical study
AU Beatriz Miguel, Adolfo Bastida, Jose Zun~iga, Alberto Requena,
and Nadine Halberstadt
PP 10130-10142

TE Fine structure of the H_{2} 5g-4f inter-Rydberg transition
revealed by difference frequency laser spectroscopy
AU D.Uy, C.M.Gabrys, T.Oka, B.J.Cotterell, R.J.Stickland,
Ch.Jungen, and A.Wueest
PP 10143-10153

TE Rotationally resolved infrared spectrum of the Cl^{-}-H_{2}
anion complex
AU D.A.Wild, R.L.Wilson, P.S.Weiser, and E.J.Bieske
PP 10154-10157

TE The hydrogen fluoride dimer in liquid helium: A prototype system
for studying solvent effects on hydrogen bonding
AU K.Nauta and R.E.Miller
PP 10158-10168

TE The AlCO^{-} and Al(CO)_{2}^{-} anions: Matrix isolation
infrared spectra and density functional theory studies
AU Luning Zhang, Jian Dong, Mingfei Zhou, and Qizong Qin
PP 10169-10173

TE Non-Debye screening in ionic solutions: Generalization of the
modified mean spherical approximation
AU L.M.Varela, J.M.Ruso, M.Garcia, and V.Mosquera
PP 10174-10179

TE Consistency conditions and equation of state for additive
hard-sphere fluid mixtures
AU C.Barrio and J.R.Solana
PP 10180-10185

TE Equation of state of the rigid disk fluid from its triangle
distribution
AU Frank H.Stillinger, Dorothea K.Stillinger, Salvatore Torquato,
Thomas M.Truskett, and Pablo G.Debenedetti
PP 10186-10190

TE Photoinduced intermolecular electron transfer in complex
liquids: Experiment and theory
AU H.L.Tavernier, M.M.Kalashnikov, and M.D.Fayer
PP 10191-10201

TE Raman and absorption spectrum of mass-selected lutetium dimers
in argon matrices
AU Li Fang, Xiaoyu Chen, Xiaole Shen, and John R.Lombardi
PP 10202-10206

TE Modeling of dispersive nonphotochemical hole growth kinetics
data: Al-phthalocyanine tetrasulphonate in hyperquenched glassy water
AU T.Reinot and G.J.Small
PP 10207-10214

TE Cation-vacancy ordering in dehydrated Na_{6}[AlSiO_{4}]_{6}
AU Scott R.Shannon, Branton J.Campbell, Horia Metiu,
and Nick P.Blake
PP 10215-10225

TE The cation-vacancy ordering transition in dehydrated Na_{6}
sodalite
AU Branton J.Campbell, J.Miguel Delgado, Anthony K.Cheetham,
Bo B.Iversen, Nick P.Blake, Scott R.Shannon, Susan Latturner,
and Galen D.Stucky
PP 10226-10239

TE Analysis of solvation structure and thermodynamics of methane in
water by reference interaction site model theory using an
all-atom model
AU Qizhi Cui and Vedene H.Smith, Jr.
PP 10240-10245

TE Wetting of glass surfaces by ionic magnetic fluids: Effect of
the concentration and the pH of the solution and of the size of
the magnetic grains on a surface stabilized birefringent layer
AU M.Magalha~es, A.M.Figueiredo Neto, A.Bee, and A.Bourdon
PP 10246-10251

TE Surface diffusion in mixed overlayers with superlattice
ordering: Percolative transport around obstacles and along
domain boundaries
AU Da-Jiang Liu and J.W.Evans
PP 10252-10264

TE Adsorbate aggregation and relaxation of low-frequency vibrations
AU M.V.Pykhtin, Andrew M.Rappe, and Steven P.Lewis
PP 10265-10271

TE Kinetics of ordering for a ternary alloy in the pair approximation
AU Jun Ni, Binglin Gu, Toshihiro Ashino, and Shuichi Iwata
PP 10272-10278

TE Monte Carlo study of the CO-poisoning dynamics in a model for
the catalytic oxidation of CO
AU Ezequiel V.Albano and Joaquin Marro
PP 10279-10283

TE Nonexponential decay of velocity correlations in surface
diffusion: The role of interactions and ordering
AU I.Vattulainen, T.Hjelt, T.Ala-Nissila, and S.C.Ying
PP 10284-10292

TE On the magnetic anisotropy of lanthanide-containing
metallomesogens
AU Vladimir S.Mironov, Yury G.Galyametdinov, Arnout Ceulemans,
and Koen Binnemans
PP 10293-10303

TE The degree of dissociation of ionic surfactant shells within a
W/O microdroplet
AU Heng-Kwong Tsao, Yu-Jane Sheng, and C.-Y.David Lu
PP 10304-10312

TE Methane isotopomers adsorbed on KBr(100): An exploration of
adsorbate orientation and rotation
AU Kent A.Davis and George E.Ewing
PP 10313-10322

TE Nucleation and coarsening during epitaxy on a substrate subject
to periodic strain: Spatial ordering and size uniformity
AU Thomas R.Mattsson and Horia Metiu
PP 10323-10332

TE The dynamics of O_{2} adsorption on Pt(533): Step mediated
molecular chemisorption and dissociation
AU Adam T.Gee and Brian E.Hayden
PP 10333-10343

TE Transient effects in ultra shallow depth profiling of silicon by
secondary ion mass spectrometry
AU P.A.W.van der Heide, M.S.Lim, S.S.Perry, and J.W.Rabalais
PP 10344-10352

TE Kinetic oscillations in the catalytic CO oxidation on Pt(100)
with adsorbed impurities
AU Francisco Chavez, Luis Vicente, and Aurelien Perera
PP 10353-10360

TE Role of dye structure in photoinduced reorientation of dye-doped
liquid crystals
AU L.Marrucci, D.Paparo, M.R.Vetrano, M.Colicchio, E.Santamato,
and G.Viscardi
PP 10361-10366

TE A dissipative particle dynamics method for modeling the
geometrical packing of filler particles in polymer composites
AU J.A.Elliott and A.H.Windle
PP 10367-10376

TE Localization of random copolymers at a sharp interface: Effect
of excluded volume
AU Steven Dwyer, Michael Trott, and Zheng Yu Chen
PP 10377-10385

TE Thin film polymer blends undergoing phase separation and
wetting: Identification of early, intermediate, and late stages
AU Howard Wang and Russell J.Composto
PP 10386-10397

TE The virial coefficients of the pearl-necklace model
AU C.Vega, J.M.Labaig, L.G.MacDowell, and E.Sanz
PP 10398-10409

LETTERS TO THE EDITOR


TE A molecular dynamics study of the transport coefficients of
liquid transition and noble metals using effective pair
potentials obtained from the embedded atom model
AU M.M.G.Alemany, L.J.Gallego, L.E.Gonzalez, and D.J.Gonzalez
PP 10410-10411

TE Erratum: "An estimate for the Gibbs energy of amorphous solid
waters and differences between the low-density amorph and glassy
water" [J. Chem. Phys., v.112, 8573 (2000)]
AU G.P.Johari
PP 10412

TE Erratum: "Photodissociation spectroscopy of
Ag_{4}^{+}(N_{2})_{m}, m=0-4" [J. Chem. Phys., v.113, 5361 (2000)]
AU Detlef Schooss, Stefan Gilb, Julian Kaller, Manfred M.Kappes,
Filipp Furche, Andreas Koehn, Klaus May, and Reinhart Ahlrichs
PP 10413-10415