The Journal of Chemical Physics, 2002, V 116, N 23, June 15.
ARTICLES
Theoretical Methods and Algorithms
TE Quasi-isotropic single-transition cross-polarization in nuclear
magnetic resonance
AU Thomas R.Eykyn, Fabien Ferrage, and Geoffrey Bodenhausen
PP 10041-10050
TE Quantum-classical description of rotational diffractive
scattering using Bohmian trajectories: Comparison with full
quantum wave packet results
AU E.Gindensperger, C.Meier, J.A.Beswick, and M-C.Heitz
PP 10051-10059
TE Direct generation of local orbitals for multireference treatment
and subsequent uses for the calculation of the correlation energy
AU Daniel Maynau, Stefano Evangelisti, Nathalie Guihery,
Carmen J.Calzado, and Jean-Paul Malrieu
PP 10060-10068
TE Quantum-phase dynamics of dimer systems interacting with a
two-mode squeezed coherent field
AU Masayoshi Nakano and Kizashi Yamaguchi
PP 10069-10082
TE "Coarse" stability and bifurcation analysis using stochastic
simulators: Kinetic Monte Carlo examples
AU Alexei G.Makeev, Dimitrios Maroudas, and Ioannis G.Kevrekidis
PP 10083-10091
TE Association-dissociation in solution/Long-time relaxation
prediction by a mode coupling approach
AU Wolfgang Naumann
PP 10092-10098
TE The influence of finite bandwidth excitation sources in
degenerate four-wave mixing spectroscopy
AU Thierry A.W.Wasserman, Patrick H.Vaccaro, and Bruce R.Johnson
PP 10099-10121
TE A highly efficient algorithm for electron repulsion integrals
over relativistic four-component Gaussian-type spinors
AU Takeshi Yanai, Takahito Nakajima, Yasuyuki Ishikawa, and
Kimihiko Hirao
PP 10122-10128
TE Energy correction to simulation of volume polarization in
reaction field theory
AU Daniel M.Chipman
PP 10129-10138
TE Varying the fraction of orbital exchange in density functional
theory: Influence on nuclear magnetic resonance shielding constants
AU Philip J.Wilson and David J.Tozer
PP 10139-10147
Gas Phase Dynamics and Structure: Spectroscopy, Molecular
Interactions, Scattering, and Photochemistry
TE Spectroscopic determination of the water dimer intermolecular
potential-energy surface
AU N.Goldman, R.S.Fellers, M.G.Brown, L.B.Braly, C.J.Keoshian,
C.Leforestier, and R.J.Saykally
PP 10148-10163
TE Formation of anion fragments from gas-phase glycine by low
energy (0-15 eV) electron impact
AU Sascha Gohlke, Andrzej Rosa, Eugen Illenberger, Frank Bruening,
and Michael A.Huels
PP 10164-10169
TE Vibrational effects in a weakly-interacting quantum solvent: The
CO molecule in ^{4}He gas and in ^{4}He droplets
AU F.Paesani and F.A.Gianturco
PP 10170-10182
TE Dynamically localized wave packets as a tool to study the
dynamics of the LiNC<_->LiCN isomerization reaction
AU E.Martin-Fierro, F.Borondo, J.M.Gomez Llorente, and R.M.Benito
PP 10183-10196
TE SVRT calculation for bond-selective reaction H+HOD-->H_{2}+OD,
HD+OH
AU Xin Zhang, KeLi Han, and John Z.H.Zhang
PP 10197-10200
TE Gas phase trapped ion studies of collisionally formed
MgC_{60}^{+} complexes
AU R.I.Thompson, M.Welling, H.A.Schuessler, and H.Walther
PP 10201-10211
TE Molecules in high spin states: The millimeter and submillimeter
spectrum of the MnS radical (X ^{6}Sigma^{+})
AU J.M.Thompsen, M.A.Brewster, and L.M.Ziurys
PP 10212-10220
TE Carbon 1s photoelectron spectroscopy of CF_{4} and CO: Search
for chemical effects on the carbon 1s hole-state lifetime
AU Thomas X.Carroll, Knut J.Borve, Leif J.Sathre, John D.Bozek,
Edwin Kukk, Jeffrey A.Hahne, and T.Darrah Thomas
PP 10221-10228
TE Fragmentation path for hydrogen atom dissociation from methoxy radical
AU Nicholas D.K.Petraco, Wesley D.Allen, and Henry F.Schaefer III
PP 10229-10237
TE Electronic structure and spectroscopic properties of electronic
states of ScC_{3} and ScC_{3}^{-}
AU S.Roszak, D.Majumdar, and K.Balasubramanian
PP 10238-10246
TE Cobalt-benzene cluster anions: Mass spectrometry and negative
ion photoelectron spectroscopy
AU M.Gerhards, O.C.Thomas, J.M.Nilles, W.-J.Zheng, and K.H.Bowen, Jr.
PP 10247-10252
TE Experimental and theoretical study of benzene (acetonitrile)_{n}
clusters, n=1-4
AU M.Samy El-Shall, George M.Daly, and Douglas Wright
PP 10253-10266
TE Double-resonance overtone photofragment spectroscopy of
trans-HONO. II. State- and time-resolved dissociation and
OH-product state distributions
AU F.Reiche, B.Abel, R.D.Beck, and T.R.Rizzo
PP 10267-10276
TE Binding to gold(0): Accurate computational methods with
application to AuNH_{3}
AU Nicholas A.Lambropoulos, Jeffrey R.Reimers, and Noel S.Hush
PP 10277-10286
TE Spectroscopic properties of lead hexamer and its ions
(Pb_{6}, Pb_{6}^{+}, Pb_{6}^{-})
AU Cunyuan Zhao and K.Balasubramanian
PP 10287-10296
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Quasisaddles as relevant points of the potential energy surface
in the dynamics of supercooled liquids
AU L.Angelani, R.Di Leonardo, G.Ruocco, A.Scala, and F.Sciortino
PP 10297-10306
TE HFCN open-shell isomers in solid argon. I. Spectroscopy of the
ground and excited states of HFC==N radical
AU Eugenii Ya.Misochko, Alexander V.Akimov, Ilya U.Goldschleger,
and Charles A.Wight
PP 10307-10317
TE HFCN open-shell isomers in solid argon. II. Excited-state
tunneling isomerization HFC==N^{.}-->FC^{.}==NH
AU Eugenii Ya.Misochko, Alexander V.Akimov, Ilya U.Goldschleger,
and Charles A.Wight
PP 10318-10324
TE Signal interferences from turbulent spin dynamics in solution
nuclear magnetic resonance spectroscopy
AU Susie Y.Huang, Yung-Ya Lin, Natalia Lisitza, and Warren S.Warren
PP 10325-10337
TE Rotational tunneling of NH_{4} and NH_{3}D and dipolar
interaction in (NH_{3.6}D_{0.4})_{2}PtCl_{6}
AU M.Prager, P.Schiebel, and H.Grimm
PP 10338-10342
TE The dynamics of ND_{4}^{+} and NH_{3}D^{+} groups in ammonium
persulphate studied by deuteron nuclear magnetic resonance. I.
Tunneling and stochastic reorientations at low temperatures
AU Z.Olejniczak, Z.T.Lalowicz, T.Schmidt, H.Zimmermann,
U.Haeberlen, and H.Schmitt
PP 10343-10355
TE Computer modeling of disordered molecular solids: Six-state
model of glassy crystal cyanoadamantane
AU Robert Fabianski, Lucyna Firlej, and Bogdan Kuchta
PP 10356-10360
TE Vibrational spectra of halobenzene cations in the ground and B~
^{2}B_{2} electronic states obtained by one-photon mass-analyzed
threshold ionization spectrometry
AU Chan Ho Kwon, Hong Lae Kim, and Myung Soo Kim
PP 10361-10371
TE Car-Parrinello molecular dynamics simulation of liquid water:
New results
AU Sergei Izvekov and Gregory A.Voth
PP 10372-10376
TE Dielectric relaxation and underlying dynamics of acetonitrile
and 1-ethyl-3-methylimidazolium triflate mixtures using THz
transmission spectroscopy
AU M.L.T.Asaki, A.Redondo, T.A.Zawodzinski, and A.J.Taylor
PP 10377-10385
TE Relaxation dynamics in plastic crystals
AU R.Brand, P.Lunkenheimer, and A.Loidl
PP 10386-10401
Surfaces, Interfaces, and Materials
TE CF_{3}I on a silicon surface: Adsorption, temperature-programmed
desorption, and electron-stimulated desorption
AU Jason E.Sanabia, John H.Moore, and John A.Tossell
PP 10402-10410
TE Structural sensing using fluorescence nanotomography
AU Olaf J.Rolinski and David J.S.Birch
PP 10411-10418
TE Efficiency of the pi conjugation in a novel family of
alpha,alpha'-bisphenyl end-capped oligothiophenes by means of
Raman spectroscopy
AU C.Moreno Castro, M.C.Ruiz Delgado, V.Hernandez, S.Hotta,
J.Casado, and J.T.Lopez Navarrete
PP 10419-10427
TE Ultraviolet-visible and infrared spectroscopic study of
Langmuir-Blogett films of a charge transfer complex based on
2-dodecyl-7,7,8,8-tetracyanoquinodimethane and copper
AU Tapas Pal Majumder and Keiichi Ikegami
PP 10428-10434
TE Bimetallic Ag-Au nanoparticles: Extracting meaningful optical
constants from the surface-plasmon extinction spectrum
AU M.Moskovits, I.Srnova-Sloufova, and B.Vlckova
PP 10435-10446
TE Charge transfer in hyperthermal surface collisions of C_{60}^{0}
and C_{60}^{-}: Experiment and model calculations
AU A.Bekkerman, B.Tsipinyuk, and E.Kolodney
PP 10447-10457
TE Tuning surface morphologies of ion-assisted diamondlike carbon
film on the nanometer scale
AU X.D.Zhu, H.Naramoto, Y.Xu, K.Narumi, and K.Miyashita
PP 10458-10461
TE Crystal structures of polymerized fullerides AC_{60}, A=K, Rb,
Cs, and alkali-mediated interactions
AU B.Verberck, K.H.Michel, and A.V.Nikolaev
PP 10462-10474
Polymers, Biopolymers, and Complex Systems
TE Liquid-state theory derivation of surface accessible solvation
potential models for proteins
AU Karl F.Freed
PP 10475-10477
TE Molecular theory of hydrophobic mismatch between lipids and peptides
AU Daniel Duque, Xiao-jun Li, Kirill Katsov, and M.Schick
PP 10478-10484
TE A three-dimensional polymer growth model
AU Marc Vogt and Rigoberto Hernandez
PP 10485-10491
TE Residual dipolar coupling for the assessment of cross-link
density changes in gamma-irradiated silica-PDMS composite materials
AU Robert S.Maxwell and Bryan Balazs
PP 10492-10502
TE Spectroscopic investigation of the different long-lived
photoexcitations in a polythiophene
AU Carsten Rothe, Susanne Hintschich, Andy P.Monkman,
Mattias Svensson, and Mats R.Anderson
PP 10503-10507
TE Self-assembly of star block copolymers by dynamic density
functional theory
AU Xuehao He, Lei Huang, Haojun Liang, and Caiyuan Pan
PP 10508-10513
TE Self-consistent effective interactions in charged colloidal
suspensions
AU Juan A.Anta and Santiago Lago
PP 10514-10522
TE The mobility and diffusivity of a knotted polymer: Topological
deformation effect
AU Yu-Jane Sheng and Heng-Kwong Tsao
PP 10523-10528
TE Measurement of the full shear-induced self-diffusion tensor of
noncolloidal suspensions
AU V.Breedveld, D.van den Ende, M.Bosscher, R.J.J.Jongschaap, and
J.Mellema
PP 10529-10535
TE Determination of temperature dependent structure evolution by
fast-Fourier transform at late stage spinodal decomposition in
bicontinuous biopolymer mixtures
AU Niklas Loren, Maud Langton, and Anne-Marie Hermansson
PP 10536-10546
TE Density profiles and surface tension of polymers near colloidal
surfaces
AU A.A.Louis, P.G.Bolhuis, E.J.Meijer, and J.P.Hansen
PP 10547-10556
LETTERS TO THE EDITOR
Errata
TE Erratum: "An accurate MGGA-based hybrid exchange-correlation
functional" [J. Chem. Phys., v.116, 2335 (2002)]
AU Jianmin Tao
PP 10557
TE Erratum: "All optical triple resonance spectroscopy of the
A^{1}Sigma_{u}^{+} state of ^{7}Li_{2}" [J. Chem. Phys., v.104,
2813 (1996)]
AU K.Urbanski, S.Antonova, A.Yiannopoulou, A.M.Lyyra, Li Li, and
W.C.Stwalley
PP 10557