The Journal of Chemical Physics, 2004, V 120, N 23, 15 June.
COMMUNICATIONS
TE Three-dimensional orientational colocalization of individual
donor-acceptor pairs
AU Christian G.Huebner, Vsevolod Ksenofontov, Fabian Nolde,
Klaus Muellen, and Thomas Basche
PP 10867-10870
TE Silver nanoparticle array structures that produce remarkably
narrow plasmon lineshapes
AU Shengli Zou, Nicolas Janel, and George C.Schatz
PP 10871-10875
TE Single-ensemble nonequilibrium path-sampling estimates of free
energy differences
AU F.Marty Ytreberg and Daniel M.Zuckerman
PP 10876-10879
ARTICLES
Theoretical Methods and Algorithms
TE Computing time scales from reaction coordinates by milestoning
AU Anton K.Faradjian and Ron Elber
PP 10880-10889
TE A hybrid scheme for the resolution-of-the-identity approximation
in second-order Moller-Plesset linear-r_{12} perturbation theory
AU Wim Klopper
PP 10890-10895
TE Effective force fields for condensed phase systems from ab
initio molecular dynamics simulation: A new method for
force-matching
AU Sergei Izvekov, Michele Parrinello, Christian J.Burnham, and
Gregory A.Voth
PP 10896-10913
TE The hardness profile as a tool to detect spurious stationary
points in the potential energy surface
AU Miquel Torrent-Sucarrat, Josep M.Luis, Miquel Duran, and
Miquel Sola
PP 10914-10924
TE Calculation of free energy through successive umbrella sampling
AU Peter Virnau and Marcus Mueller
PP 10925-10930
TE Optimized Jastrow-Slater wave functions for ground and excited
states: Application to the lowest states of ethene
AU Friedemann Schautz and Claudia Filippi
PP 10931-10941
TE Calculation of the ld-script A] term of magnetic circular
dichroism based on time dependent-density functional theory I.
Formulation and implementation
AU Michael Seth, Tom Ziegler, Arup Banerjee, Jochen Autschbach,
Stan J.A.van Gisbergen, and Evert J.Baerends
PP 10942-10954
TE Implementing quantum gates on oriented optical isomers
AU Ignacio R.Sola, Vladimir S.Malinovsky, and Jesus Santamaria
PP 10955-10960
TE A Bohmian total potential view to quantum effects. I.
Methodology and simple model systems
AU Javier Gonzalez, Josep Maria Bofill, and Xavier Gimenez
PP 10961-10971
Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry
TE On the valence shell electronic spectroscopy of 2-vinyl furan
AU A.Giuliani, I.C.Walker, J.Delwiche, S.V.Hoffmann, C.Kech,
P.Lima~o-Vieira, N.J.Mason, and M.-J.Hubin-Franskin
PP 10972-10982
TE Dynamics of photodissociation of ethylene and its isotopomers at
157 nm: Branching ratios and kinetic-energy distributions
AU Shih-Huang Lee, Yuan T.Lee, and Xueming Yang
PP 10983-10991
TE Dynamics of photodissociation of 3,3,3-d_{3}-propene at 157 nm:
Site effect and hydrogen migration
AU Shih-Huang Lee, Yuan T.Lee, and Xueming Yang
PP 10992-10999
TE Photoinduced dynamics of ethene in the N, V, and Z valence
states: A six-dimensional nonadiabatic quantum dynamics
investigation
AU Alexandra Viel, Robert P.Krawczyk, Uwe Manthe, and
Wolfgang Domcke
PP 11000-11010
TE Combined perturbative-variational investigation of the
vibrations of CHBr_{3} and CDBr_{3}
AU Sai G.Ramesh and Edwin L.Sibert III
PP 11011-11025
TE Above the surface multifragmentation of surface scattered
fullerenes
AU A.Bekkerman, A.Kaplan, E.Gordon, B.Tsipinyuk, and E.Kolodney
PP 11026-11030
TE A high-resolution pulsed field ionization-photoelectron-photoion
coincidence study of vinyl bromide
AU X.M.Qian, K.C.Lau, and C.Y.Ng
PP 11031-11041
TE Photodissociation and multiphoton dissociative ionization
processes in CH_{3}S_{2}CH_{3} at 193 nm studied using
velocity-map imaging
AU B.Martinez-Haya, M.J.Bass, M.Brouard, C.Vallance, I.Torres, and
J.Barr
PP 11042-11052
TE Infrared line collisional parameters of HCl in argon, beyond the
impact approximation: Measurements and classical path
calculations
AU C.Boulet, P.-M.Flaud, and J.-M.Hartmann
PP 11053-11061
TE Collision-energy-resolved Penning ionization electron
spectroscopy of p-benzoquinone: Study of electronic structure
and anisotropic interaction with He^{*}(2 ^{3}S) metastable atoms
AU Naoki Kishimoto, Kohji Okamura, and Koichi Ohno
PP 11062-11070
TE Ab initio molecular orbital study of structures and energetics
of Si_{3}H_{2}, Si_{3}H_{2}^{+}, and Si_{3}H_{2}^{-}
AU Shigeru Ikuta and Souichi Wakamatsu
PP 11071-11081
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Exponential probe rotation in glass-forming liquids
AU Li-Min Wang and Ranko Richert
PP 11082-11089
TE New results for phase transitions from catastrophe theory
AU Tetyana V.Bogdan and David J.Wales
PP 11090-11099
TE Excess entropy scaling for the diffusion coefficient in expanded
liquid metals
AU J.L.Bretonnet
PP 11100-11106
TE Isotope effects associated with tunneling and double proton
transfer in the hydrogen bonds of benzoic acid
AU Q.Xue, A.J.Horsewill, M.R.Johnson, and H.P.Trommsdorff
PP 11107-11119
TE Femtosecond primary events in bacteriorhodopsin and its retinal
modified analogs: Revision of commonly accepted interpretation
of electronic spectra of transient intermediates in the
bacteriorhodopsin photocycle
AU Halina Abramczyk
PP 11120-11132
TE An application of flexible constraints in Monte Carlo
simulations of the isobaric-isothermal ensemble of liquid water
and ice Ih with the polarizable and flexible mobile charge
densities in harmonic oscillators model
AU Humberto Saint-Martin, Berk Hess, and Herman J.C.Berendsen
PP 11133-11143
Surfaces, Interfaces, and Materials
TE Photon-stimulated desorption of F^{-} ions from CF_{3}Cl
adsorbed on Si(111)-7x7
AU C.-R.Wen and L.-C.Chou
PP 11144-11154
TE Irreversible adsorption of particles at random-site surfaces
AU Zbigniew Adamczyk, Katarzyna Jaszczolt, Barbara Siwek, and
Pawel Weronski
PP 11155-11162
TE Solvent-induced microphase separation in diblock copolymer thin
films with reversibly switchable morphology
AU Juan Peng, Yu Xuan, Hanfu Wang, Yuming Yang, Binyao Li, and
Yanchun Han
PP 11163-11170
TE Oscillatory wetting instability induced by liquid-liquid
decomposition in a Ga-Pb alloy
AU A.Turchanin, R.Tsekov, and W.Freyland
PP 11171-11182
TE Excitation migration in trimeric cyanobacterial photosystem I
AU Melih K.Sener, Sanghyun Park, Deyu Lu, Ana Damjanovic,
Thorsten Ritz, Petra Fromme, and Klaus Schulten
PP 11183-11195
TE Determination of low-pressure crystalline-liquid phase boundary
of SnI_{4}
AU Kazuhiro Fuchizaki, Yasuhiko Fujii, Yasuo Ohishi, Ayako Ohmura,
Nozomu Hamaya, Yoshinori Katayama, and Taku Okada
PP 11196-11199
TE Monte Carlo simulation for the formation of a mixed crystal from
two solids in contact
AU C.A.Yinnon, V.Buch, and J.P.Devlin
PP 11200-11208
TE Electron-nuclear correlations for photo-induced dynamics in
molecular dimers
AU Dmitri S.Kilin, Yuri V.Pereversev, and Oleg V.Prezhdo
PP 11209-11223
TE Interfacial properties of the nanostructured dye-sensitized
solid heterojunction TiO_{2}/RuL_{2}(NCS)_{2}/CuI
AU P.G.Karlsson, S.Bolik, J.H.Richter, B.Mahrov, E.M.J.Johansson,
J.Blomquist, P.Uvdal, H.Rensmo, H.Siegbahn, and A.Sandell
PP 11224-11232
Polymers, Biopolymers, and Complex Systems
TE Glassy phases in random heteropolymers with correlated sequences
AU M.Mueller, M.Mezard, and A.Montanari
PP 11233-11255
TE In search of temporal power laws in the orientational relaxation
near isotropic-nematic phase transition in model nematogens
AU Prasanth P.Jose and Biman Bagchi
PP 11256-11266
TE Curvature elasticity of mixed amphiphilic bilayers
AU A.P.Gonzalez
PP 11267-11284
TE Freezing and folding behavior in simple off-lattice
heteropolymers
AU J.E.Magee, J.Warwicker, and L.Lue
PP 11285-11291
TE Folding behavior of model proteins with weak energetic
frustration
AU C.Rebecca Locker and Rigoberto Hernandez
PP 11292-11303
TE Simulation of the effects of chain architecture on the sorption
of ethylene in polyethylene
AU Brian J.Banaszak, Roland Faller, and Juan J.de Pablo
PP 11304-11315
TE Phase and orientational ordering of low molecular weight rod
molecules in a quenched liquid crystalline polymer matrix with
mobile side chains
AU Lorin Gutman, Jianshu Cao, and Tim M.Swager
PP 11316-11326
LETTERS TO THE EDITOR
Notes
TE Nuclear magnetic resonance study of self-diffusion in liquid
crystals
AU Mi Jung Kim, Kate Cardwell, and A.K.Khitrin
PP 11327-11329
TE Nonadiabatic transition in the dissociation process from inner
valence states of O_{2}^{+}
AU Ryo Hirayama, Norifumi Yamamoto, and Eisaku Miyoshi
PP 11330-11332
Errata
TE Erratum: "Resonance Raman study of solvent dynamics in electron
transfer. I. Betaine-30 in CH_{3}CN and CD_{3}CN" [J. Chem.
Phys., v.106, 4963 (1997)]
AU Yaping Zong and Jeanne L.McHale
PP 11333