The Journal of Chemical Physics, 2002, V 116, N 19, May 15.
COMMUNICATIONS
TE What is the shape of pores in natural rocks?
AU Quan Chen and Y.-Q.Song
PP 8247-8250
TE Resonant two-photon ionization study of jet-cooled amino acid:
L-phenylalanine and its monohydrated complex
AU Kang Taek Lee, Jiha Sung, Kwang Jun Lee, Seong Keun Kim,
and Young Dong Park
PP 8251-8254
ARTICLES
Theoretical Methods and Algorithms
TE A black-box self-consistent field convergence algorithm: One
step closer
AU Konstantin N.Kudin, Gustavo E.Scuseria, and Eric Cances
PP 8255-8261
TE Torsional path integral Monte Carlo method for the quantum
simulation of large molecules
AU Thomas F.Miller III and David C.Clary
PP 8262-8269
TE Accurate relativistic Gaussian basis sets determined by the
third-order Douglas-Kroll approximation with a finite-nucleus model
AU Takahito Nakajima and Kimihiko Hirao
PP 8270-8275
TE Exchange-only optimized effective potential for molecules from
resolution-of-the-identity techniques: Comparison with the local
density approximation, with and without asymptotic correction
AU Sebastien Hamel, Mark E.Casida, and Dennis R.Salahub
PP 8276-8291
Gas Phase Dynamics and Structure: Spectroscopy, Molecular
Interactions, Scattering, and Photochemistry
TE Experimental and theoretical investigations of the O(^{1}D)
reaction with cyclopropane
AU Chia C.Wang, Jinian Shu, Jim J.Lin, Yuan T.Lee, Xueming Yang,
Thanh Lam Nguyen, and Alexander M.Mebel
PP 8292-8299
TE Photodissociation of the hydroxymethyl radical. I. The role of
conical intersections in line broadening and decomposition pathways
AU Brian C.Hoffman and David R.Yarkony
PP 8300-8306
TE Entropic effects on the structure of Lennard-Jones clusters
AU Jonathan P.K.Doye and Florent Calvo
PP 8307-8317
TE Memory kernels and effective Hamiltonians from time-dependent
methods. II. Vibrational predissociation
AU Vincent Brems and Michele Desouter-Lecomte
PP 8318-8326
TE Global optimization analysis of water clusters (H_{2}O)_{n}
(11<=n<=13) through a genetic evolutionary approach
AU Freddy F.Guimara~es, Jadson C.Belchior, Roy L.Johnston,
and Christopher Roberts
PP 8327-8333
TE Vibronic transitions from coupled-cluster response theory:
Theory and application to HSiF and H_{2}O
AU Ove Christiansen, Torgeir A.Ruden, Kenneth Ruud, and Trygve Helgaker
PP 8334-8342
TE Vinyl radical visible spectroscopy and excited state dynamics
AU Milena Shahu, Chun-Hui Yang, Charles D.Pibel, Andrew McIlroy,
Craig A.Taatjes, and Joshua B.Halpern
PP 8343-8352
TE Coupled quasidiabatic potential energy surfaces for LiFH
AU Ahren W.Jasper, Michael D.Hack, Donald G.Truhlar, and Piotr Piecuch
PP 8353-8366
TE Electronic and vibrational predissociation in ArI_{2}
photodissociation dynamics
AU Bruno Lepetit, Octavio Roncero, Alexei A.Buchachenko, and Nadine Halberstadt
PP 8367-8375
TE Calculating approximate quantum mechanical rates without an a
priori reaction coordinate
AU Yisroel Brumer, Andrei A.Golosov, Zong Da Chen, and David R.Reichman
PP 8376-8383
TE Laser-assisted (1+1')-photon ionization-detected absorption
spectrum of the 3ppi ^{2}Pi state of HCO and DCO
AU J.D.Robinson, R.J.Foltynowicz, K.Prentice, P.Bell, and E.R.Grant
PP 8384-8395
TE Theoretical study of the unusual potential energy curve of the A
^{1}Sigma^{+} state of AgH
AU Henryk A.Witek, Dmitri G.Fedorov, Kimihiko Hirao,
Alexandra Viel, and Per-Olof Widmark
PP 8396-8406
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Magnetic field induced alignment of cyanine dye J-aggregates
AU I.O.Shklyarevskiy, M.I.Boamfa, P.C.M.Christianen, F.Touhari,
H.van Kempen, G.Deroover, P.Callant, and J.C.Maan
PP 8407-8410
TE SF_{6} and its clusters in solid parahydrogen studied by
infrared spectroscopy
AU Hiroyuki Katsuki, Takamasa Momose, and Tadamasa Shida
PP 8411-8417
TE Dissipative mixed quantum-classical simulation of the aqueous
solvated electron system
AU Kim F.Wong and Peter J.Rossky
PP 8418-8428
TE Solvent-induced electronic decoherence: Configuration dependent
dissipative evolution for solvated electron systems
AU Kim F.Wong and Peter J.Rossky
PP 8429-8438
TE Dynamical instabilities in liquid nuclear magnetic resonance
experiments with large nuclear magnetization, with and without
pulsed field gradients
AU J.Jeener
PP 8439-8446
TE Chemical equilibrium in supercritical fluids: Solvent effects on
the dimerization equilibrium constant
AU S.A.Egorov and Eran Rabani
PP 8447-8454
TE Anomalies in the self-diffusion coefficient near the critical point
AU Binny J.Cherayil
PP 8455-8462
TE Mesoscale structure and fractal nature of 1-propanol aqueous
solution: A reverse Monte Carlo analysis of small angle neutron
scattering intensity
AU M.Misawa
PP 8463-8468
TE Dielectric relaxation of electrolyte solutions using terahertz
transmission spectroscopy
AU M.L.T.Asaki, A.Redondo, T.A.Zawodzinski, and A.J.Taylor
PP 8469-8482
TE Square-well fluids: The statistical and thermodynamic properties
of short chains
AU Sergey V.Fridrikh and J.E.G.Lipson
PP 8483-8491
TE Properties of the path-integral quantum hard-sphere fluid in k
space
AU Luis M.Sese
PP 8492-8503
TE Effects of three-body interactions on the structure and
thermodynamics of liquid krypton
AU N.Jakse, J.M.Bomont, and J.L.Bretonnet
PP 8504-8508
TE A simple weighted-density-functional approach to the structure
of inhomogeneous fluids
AU Chandra N.Patra and Swapan K.Ghosh
PP 8509-8516
TE Integral equation theory of Lennard-Jones fluids: A modified
Verlet bridge function approach
AU Niharendu Choudhury and Swapan K.Ghosh
PP 8517-8522
Surfaces, Interfaces, and Materials
TE Nanocages of layered BN: Super-high-pressure nanocells for
formation of solid nitrogen
AU D.Golberg, Y.Bando, T.Sato, N.Grobert, M.Reyes-Reyes,
H.Terrones, and M.Terrones
PP 8523-8532
TE Local membrane ordering of sponge phases at a solid-solution
interface
AU W.A.Hamilton, L.Porcar, Paul D.Butler, and Gregory G.Warr
PP 8533-8546
TE On simulation methods to compute surface and interfacial free
energies of disordered solids
AU Gregory Grochola, Salvy P.Russo, Ian K.Snook, and Irene Yarovsky
PP 8547-8555
TE Electron-stimulated desorption of positive ions from methane and
fluoromethane nanoclusters
AU Ryutaro Souda
PP 8556-8559
TE Exact numerical computation of a kinetic energy operator in
curvilinear coordinates
AU David Lauvergnat and Andre Nauts
PP 8560-8570
TE Directed dynamic self-assembly of objects rotating on two
parallel fluid interfaces
AU Bartosz A.Grzybowski and George M.Whitesides
PP 8571-8577
Polymers, Biopolymers, and Complex Systems
TE Foldability and the funnel of HP-36 protein sequence: Use of
hydropathy scale in protein folding
AU Goundla Srinivas and Biman Bagchi
PP 8579-8587
TE The phase behavior of charged colloidal systems in the mean
spherical approximation
AU Simon N.Petris and Derek Y.C.Chan
PP 8588-8595
TE Fluorescence and absorption spectra of oligophenylenevinylenes:
Vibronic coupling, band shapes, and solvatochromism
AU Johannes Gierschner, Hans-Georg Mack, Larry Lueer, and Dieter Oelkrug
PP 8596-8609
TE The symmetric broadening of the water relaxation peak in
polymer-water mixtures and its relationship to the hydrophilic
and hydrophobic properties of polymers
AU Yaroslav E.Ryabov, Yuri Feldman, Naoki Shinyashiki, and Shin Yagihara
PP 8610-8615
TE Dynamics of dendrimers and of randomly built branched polymers
AU C.von Ferber and A.Blumen
PP 8616-8624
TE Phase diagrams for a multistep potential model of n-alkanes by
discontinuous molecular dynamics and thermodynamic perturbation theory
AU Jingyu Cui and J.Richard Elliott, Jr.
PP 8625-8631
LETTERS TO THE EDITOR
Notes
TE Analysis of the equations-of-state of water in the metastable
region at high pressures
AU Vladimir Tchijov
PP 8632-8633
TE Collision induced phenomena on the CO/H/Ni(100) surface
AU T.Takaoka, M.Inamura, S.Yanagimachi, and I.Kusunoki
PP 8634-8635
Errata
TE Erratum: "Temperature dependence of hydrophobic interactions: A
mean force perspective, effects of water density, and
nonadditivity of thermodynamic signatures" [J. Chem. Phys.,
v.113, 4683 (2000)]
AU Seishi Shimizu and Hue Sun Chan
PP 8636
TE Erratum: "Multicomponent mixture of charged hard-sphere chain
molecules in the polymer mean-spherical approximation" [J. Chem.
Phys., v.115, 540 (2001)]
AU Yu.V.Kalyuzhnyi and P.T.Cummings
PP 8637