The Journal of Chemical Physics, 2000, V 112, N 13, April 1.
TE The detection of the free radical FO (X ^{2}Pi_{3/2}) by
submillimeter-wave spectroscopy
AU Filippo Tamassia, John M.Brown, and Shuji Saito
PP 5523-5526
TE Preferential deuterium bonding at the ice surface: A probe of
surface water molecule mobility
AU J.Paul Devlin
PP 5527-5529
THEORETICAL METHODS AND ALGORITHMS
TE Energy decomposition analysis of intermolecular interactions
using a block-localized wave function approach
AU Yirong Mo, Jiali Gao, and Sigrid D.Peyerimhoff
PP 5530-5538
TE Temperature dependent reaction coordinates
AU Ron Elber and David Shalloway
PP 5539-5545
TE Multireference perturbation theory for large restricted and
selected active space reference wave functions
AU Paolo Celani and Hans-Joachim Werner
PP 5546-5557
TE Reaction field treatment of charge penetration
AU Daniel M.Chipman
PP 5558-5565
TE Nonadiabatic photodissociation dynamics of ICN in the A~
continuum: A semiclassical initial value representation study
AU Eduardo A.Coronado, Victor S.Batista, and William H.Miller
PP 5566-5575
TE Magnetic coupling in neutral and charged Cr_{2}, Mn_{2}, and
CrMn dimers
AU N.Desmarais, F.A.Reuse, and S.N.Khanna
PP 5576-5584
TE On apparent quantized transition-state thresholds in the
photofragmentation of acetaldehyde
AU Rollin A.King, Wesley D.Allen, and Henry F.Schaefer III
PP 5585-5592
TE X-ray Raman scattering under pulsed excitation
AU Faris Gel'mukhanov, Pawel Salek, Anatoly Shalagin, and Hans Agren
PP 5593-5603
TE A CCSDT study of the effects of higher order correlation on
spectroscopic constants. I. First row diatomic hydrides
AU David Feller and Jose A.Sordo
PP 5604-5610
TE A study of the relative importance of one and two-electron
contributions to spin-orbit coupling
AU Dmitri G.Fedorov and Mark S.Gordon
PP 5611-5623
TE Convergence of Breit-Pauli spin-orbit matrix elements with basis
set size and configuration interaction space: The halogen atoms
F, Cl, and Br
AU Andreas Nicklass, Kirk A.Peterson, Andreas Berning,
Hans-Joachim Werner, and Peter J.Knowles
PP 5624-5632
TE A nonorthogonal approach to perfect pairing
AU Troy Van Voorhis and Martin Head-Gordon
PP 5633-5638
TE An extensive study of gradient approximations to the
exchange-correlation and kinetic energy functionals
AU Garnet Kin-Lic Chan and Nicholas C.Handy
PP 5639-5653
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR
INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
TE Nonresonant photofragmentation/ionization dynamics of O_{2}
using picosecond and femtosecond laser pulses at 248 nm
AU Bernard L.G.Bakker, David H.Parker, Peter C.Samartzis,
and Theofanis N.Kitsopoulos
PP 5654-5659
TE Photodissociation of H_{2}O and D_{2}O below 132 nm
AU A.H.Zanganeh, J.H.Fillion, J.Ruiz, M.Castillejo, J.L.Lemaire,
N.Shafizadeh, and F.Rostas
PP 5660-5671
TE Quantum scattering study of collisional energy transfer in
He+NO_{2}: The importance of the vibronic mixing
AU Carlo Petrongolo and George C.Schatz
PP 5672-5678
TE Geometric phase effects in the H+D_{2}-->HD+D reaction
AU Brian K.Kendrick
PP 5679-5704
TE Electron-hydrogen bonds and OH harmonic frequency shifts in
water cluster complexes with a group 1 metal atom, M(H_{2}O)_{n}
(M=Li and Na)
AU Takeshi Tsurusawa and Suehiro Iwata
PP 5705-5710
TE Predissociation in b ^{1}Pi_{u},v (v=1,4,5,6) levels of N_{2}
AU W.Ubachs, I.Velchev, and A.de Lange
PP 5711-5716
TE Proton transfer in the [phenol-NH_{3}]^{+} system: An
experimental and ab initio study
AU Ho-Tae Kim, Richard J.Green, Jun Qian, and Scott L.Anderson
PP 5717-5721
TE Potential energy surfaces for and energetics of the weakly-bound
Al-H_{2} and B-H_{2} complexes
AU Jason Williams and Millard H.Alexander
PP 5722-5730
TE Potential energy surface for a seven-atom reaction. Thermal rate
constants and kinetic isotope effects for CH_{4}+OH
AU J.Espinosa-Garcia and J.C.Corchado
PP 5731-5739
TE The c ^{3}Sigma^{+}, b ^{3}Pi, and a ^{3}Sigma^{+} states of NaK
revisited
AU R.Ferber, E.A.Pazyuk, A.V.Stolyarov, A.Zaitsevskii, P.Kowalczyk,
Hongmin Chen, He Wang, and William C.Stwalley
PP 5740-5750
TE On the importance of exchange effects in three-body
interactions: The lowest quartet state of Na_{3}
AU J.Higgins, T.Hollebeek, J.Reho, T.-S.Ho, K.K.Lehmann, H.Rabitz,
G.Scoles, and Maciej Gutowski
PP 5751-5761
TE Verification of the insertion mechanism of N(2 ^{2}D) into H-H
bonds by the vibrational state distribution measurement of
NH(X ^{3}Sigma^{-},0
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS:
SPECTROSCOPY, REACTIONS, AND RELAXATION
TE The structure of liquid ethanol: A neutron diffraction and
molecular dynamics study
AU Chris J.Benmore and Yen L.Loh
PP 5877-5883
TE Deuteron and carbon magnetic resonance studies of supercooled
liquid and glassy salol
AU Axel Does, Gerald Hinze, Roland Boehmer, Hans Sillescu,
Heinz Kolshorn, Michael Vogel, and Herbert Zimmermann
PP 5884-5892
TE Electron transfer via interaction with a polar medium:
Modulation and solvation
AU David A.Tibbets and Yuri Dakhnovskii
PP 5893-5901
TE Radio-frequency-mediated dipolar recoupling among half-integer
quadrupolar spins
AU Marc Baldus, David Rovnyak, and Robert G.Griffin
PP 5902-5909
TE The spectra and the relative yield of solvated electrons
produced by resonant photodetachment of iodide anion in ethylene
glycol in the temperature range 296
SURFACES, INTERFACES, AND MATERIALS
TE Line tension of Langmuir monolayer phase boundaries determined
with optical tweezers
AU S.Wurlitzer, P.Steffen, and Th.M.Fischer
PP 5915-5918
TE Photolysis of CH_{3}I on Cu(110) at 337 nm: Direct and
charge-transfer photodissociation
AU C.C.Johnson and E.T.Jensen
PP 5919-5931
TE The effect of the underlying substrate on the crystallization
kinetics of dense amorphous solid water films
AU Z.Dohnalek, Greg A.Kimmel, Ryan L.Ciolli, K.P.Stevenson,
R.Scott Smith, and Bruce D.Kay
PP 5932-5941
TE Electron-phonon coupling dynamics in very small (between 2 and 8
nm diameter) Au nanoparticles
AU Jose H.Hodak, Arnim Henglein, and Gregory V.Hartland
PP 5942-5947
TE Orientation and symmetry of ethylene on Pd(110): A combined
HREELS and NEXAFS study
AU H.Okuyama, S.Ichihara, H.Ogasawara, Hiroyuki Kato, T.Komeda,
Maki Kawai, and J.Yoshinobu
PP 5948-5956
TE The polarized infrared and Raman spectra of alpha-T6 single
crystal: An experimental and theoretical study
AU Alessandra Degli Esposti, Marianna Fanti, Michele Muccini,
Carlo Taliani, and Giampiero Ruani
PP 5957-5969
TE Interaction of longitudinal and transverse optic modes in silica
glass
AU C.Z.Tan and J.Arndt
PP 5970-5974
TE Comparative dynamics of Cl(^{2}P) and O(^{3}P) interactions with
a hydrocarbon surface
AU Donna J.Garton, Timothy K.Minton, Michele Alagia,
Nadia Balucani, Piergiorgio Casavecchia, and Gian Gualberto Volpi
PP 5975-5984
TE Computer simulation studies of liquid lenses at a liquid-liquid
interface
AU Fernando Bresme and Nicholas Quirke
PP 5985-5990
TE Hydrogen adsorption in the NaA zeolite: A comparison between
numerical simulations and experiments
AU Farida Darkrim, Asdin Aoufi, Pierre Malbrunot,
and Dominique Levesque
PP 5991-5999
TE Production of fullerenes and single-wall carbon nanotubes by
high-temperature pulsed arc discharge
AU Toshiki Sugai, Hideki Omote, Shunji Bandow, Nobuo Tanaka,
and Hisanori Shinohara
PP 6000-6005
TE A density functional theory study of CH_{2} and H adsorption on
Ni(111)
AU A.Michaelides and P.Hu
PP 6006-6014
TE Mechanism and cross sections for HD and CH_{4-x}D_{x} (x=1-4)
formation in D(g)+CH_{3}/Cu(111) reaction at 100 K
AU Jae-Young Kim and Jihwa Lee
PP 6015-6022
TE Correspondence between the pressure expressions and van der
Waals theory for a curved surface
AU Edgar M.Blokhuis, H.N.W.Lekkerkerker, and Igal Szleifer
PP 6023-6030
TE Energy disposal in collisions of nitric oxide with molecular
adlayers on transition metal single crystal surfaces:
Translational energy disposal
AU M.K.Ainsworth, J.McCombie, M.R.S.McCoustra, and M.A.Chesters
PP 6031-6039
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
TE Thermodynamic properties of lattice polymers: Monte Carlo
simulations and mean-field theories
AU Dorel Buta, Karl F.Freed, and Igal Szleifer
PP 6040-6048
TE Scaling properties of the morphological measures at the early
and intermediate stages of the spinodal decomposition in
homopolymer blends
AU Aleksij Aksimentiev, Krzysztof Moorthi, and Robert Holyst
PP 6049-6062
TE Distribution of lipids in nonlamellar phases of their mixtures
AU Xiao-jun Li and M.Schick
PP 6063-6072
TE Monte Carlo simulation of homopolymer melts in plane Poiseuille
flow
AU Seth S.Gleiman and John R.Dorgan
PP 6073-6083
TE One way to characterize the compact structures of lattice
protein model
AU Bin Wang and Zu-Guo Yu
PP 6084-6088
LETTERS TO THE EDITOR
TE Erratum: "Topological effects due to conical intersections: A
model study of two interacting conical intersections" [J. Chem.
Phys., v.111, 9493 (1999)]
AU Michael Baer
PP 6089