Journal of Physical Chemistry , 2002, V 106, N 16, April 25
ARTICLES
DYNAMICS AND RELAXATION
Dynamics for Solubilization of Naphthalene and Pyrene into
n-Decyltrimethylammonium Perfluorocarboxylate Micelles
Nobuyuki Yoshida, Yoshikiyo Moroi, Robin Humphry-Baker, and Michael Gra"tzel
pp 3991 - 3997;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Internal Rotation and Intermolecular Vibrations of the Phenol-Methanol Cluster:
A Comparison of Spectroscopic Results and Ab Initio Theory
Ch. Plu"tzer, Ch. Jacoby, and M. Schmitt
pp 3998 - 4004;
A High Mass Resolution Study of the Interaction of Aromatic and Nitro-Aromatic
Molecules with Intense Laser Fields
A. D. Tasker, L. Robson, K. W. D. Ledingham, T. McCanny, S. M. Hankin,
P. McKenna, C. Kosmidis, D. A. Jaroszynski, and D. R. Jones
pp 4005 - 4013;
Excited State Dynamics of Organo-Lanthanide Electroluminescent Phosphors: The
Properties of Tb(tb-pmp)3 and Gd(tb-pmp)3
J. R. G. Thorne, J. M. Rey, R. G. Denning, S. E. Watkins, M. Etchells, M. Green,
and V. Christou
pp 4014 - 4021;
High-Resolution Electronic Spectra of 2-Hydroxy and 2-Aminopyridine. Perturbing
Effects of the Nitrogen Atom in the Aromatic Ring
David R. Borst, Joseph R. Roscioli, and David W. Pratt
pp 4022 - 4027;
Quadrupole Coupling Parameters of Olefinic Deuterons: 2H MAS NMR Spectroscopy of
Photochromic Spiropyran and Merocyanines
Wallace O'Neil Parker, Jr., Jonathan Hobley, and Vincenzo Malatesta
pp 4028 - 4031;
Solvent Effects on Conformationally Induced Enhancement of the Two-Photon
Absorption Cross Section of a Pyridinium-N-Phenolate Betaine Dye. A Quantum
Chemical Study
R. Zaleny, W. Bartkowiak, S. Styrcz, and J. Leszczynski
pp 4032 - 4037;
Matrix Infrared Spectra and Quasirelativistic DFT Studies of ThS and ThS2
Binyong Liang and Lester Andrews
pp 4038 - 4041; DOI: 10.1021/jp014301m
(50K)
Reactions of Laser-Ablated Osmium and Ruthenium Atoms with Carbon Dioxide:
Matrix Infrared Spectra and Density Functional Calculations on OMCO, O2MCO,
OMCO- (M = Os, Ru), O2Os(CO)2, and OCRu(O2)CO
Binyong Liang and Lester Andrews
pp 4042 - 4053;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Solubility of Methanol in Low-Temperature Aqueous Sulfuric Acid and Implications
for Atmospheric Particle Composition
Laura T. Iraci, Andrew M. Essin, and David M. Golden
pp 4054 - 4060;
Convection-Induced Absorption Oscillations in a Cuvette after Irradiation of a
Pentazadiene Solution by Laser Pulses
Fritz Gassmann, Thomas Lippert, Jiang Wei, and Alexander Wokaun
pp 4061 - 4067;
Passive Barrier as a Transformer of "Chemical Signal" Frequency
Jakub Sielewiesiuk and Jerzy Go'recki
pp 4068 - 4076;
A VTST Study of the H + O3 and O + HO2 Reactions Using a Six-dimensional DMBE
Potential Energy Surface for Ground State HO3
A. Ferna'ndez-Ramos and A. J. C. Varandas
pp 4077 - 4083;
The Rate Constant of the Reaction of Superoxide with Nitrogen Monoxide:
Approaching the Diffusion Limit
T. Nauser and W. H. Koppenol
pp 4084 - 4086;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Ultrafast Electron Diffraction and Structural Dynamics: Transient Intermediates
in the Elimination Reaction of C2F4I2
Hyotcherl Ihee, Boyd M. Goodson, Ramesh Srinivasan, Vladimir A. Lobastov,
and Ahmed H. Zewail
pp 4087 - 4103;
Electronic Structure and Vibrational Modes of Cobalt Oxide Clusters CoOn
(n = 1-4) and Their Monoanions
Ellie L. Uzunova, Georgi St. Nikolov, and Hans Mikosch
pp 4104 - 4114;
Conformational Analyses of Native and Permethylated Disaccharides
Sanford Mendonca, Glenn P. Johnson, Alfred D. French, and Roger A. Laine
pp 4115 - 4124;
Quasiclassical Trajectory and Transition State Theory Studies of the N(4S) + H2
NH(X3 -) + H Reaction
Ronald Z. Pascual, George C. Schatz, Georg Lendvay, and Diego Troya
pp 4125 - 4136;
Theoretical Studies of Isomerization Reactions of 2-Pentoxy Radical and Its
Derivatives Including the Unsaturated Alkoxy Radicals
Ching-Yeh Lin and Jia-Jen Ho
pp 4137 - 4144;
Sampling the Configuration Space of Finite Atomic Systems: How Ergodic Is
Molecular Dynamics?
F. Calvo, J. Galindez, and F. X. Gade'a
pp 4145 - 4152;
Density Functional Studies of the Reactions of Lanthanide Monocations with
Fluoromethane: C-F Bond Activation and Electron-Transfer Reactivity
Dongju Zhang, Chengbu Liu, and Siwei Bi
pp 4153 - 4157;
Ab Initio Investigation of the Structure and Spectroscopy of Hydronium-Water
Clusters
Andrzej L. Sobolewski and Wolfgang Domcke
pp 4158 - 4167;
Resonance Raman Spectra Simulation of the 4,4'-Bipyridine Anion Radical and
N-Protonated Radical
Christine Lapouge, Guy Buntinx, and Olivier Poizat
pp 4168 - 4175;
An Investigation of the 17O NMR Chemical Shifts in Oxiranes Using Magnetically
Corrected Basis Sets
Vladimir V. Rossikhin, Sergey I. Okovytyy, Lilija I. Kasyan, Eugene O. Voronkov,
Ludmila K. Umrikhina, and Jerzy Leszczynski
pp 4176 - 4180;
Vanadium Insertion into CO2, CS2 and OCS: A Comparative Theoretical Study
Imre Pa'pai, Yacine Hannachi, Sylvain Gwizdala, and Joe"lle Mascetti
pp 4181 - 4186;
Hydrogen-Bonding Interactions between Formic Acid and Pyridine
M. J. Fernandez-Berridi, J. J. Iruin, L. Irusta, Jose M. Mercero, and Jesus M. Ugalde
pp 4187 - 4191;
A Comparison of the Electronic Transition Energies for Ethene, Isobutene,
Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of
Basis Sets
Kenneth B. Wiberg, Anselmo E. de Oliveira, and Gary Trucks
pp 4192 - 4199;
Hardness and Polarizability Profiles for Intramolecular Proton Transfer in Water
Dimer Radical Cation
Tapan K. Ghanty and Swapan K. Ghosh
pp 4200 - 4204;
Quantum Chemical Investigation of Initial Reactions between the Molecular
Precursor TADB and Ammonia. 1. Gas-Phase Reactions
Silke Reinhardt, Marcus Gastreich, and Christel M. Marian
pp 4205 - 4216;
Theoretical Study of AlCn, AlCn+, and AlCn- (n = 1-7) Clusters
Antonio Largo, Pilar Redondo, and Carmen Barrientos
pp 4217 - 4225;
Theoretical Study of the Reaction of Yttrium with Formaldehyde
Craig A. Bayse
pp 4226 - 4229;
Structure of cis,trans-1,4-Difluorobutadiene from Microwave Spectroscopy
Norman C. Craig, Catherine M. Oertel, David C. Oertel, Michael J. Tubergen,
Richard J. Lavrich, and Anne M. Chaka
pp 4230 - 4235;
First-Principles Kinetics of CO Desorption from Oxygen Species on Carbonaceous
Surface
Alejandro Montoya, Fanor Mondrago'n, and Thanh N. Truong
pp 4236 - 4239;
Density Functional Theory Study of the Isomers of C6N
K. Chuchev and J. J. BelBruno
pp 4240 - 4244;
A Linearly Scaling QM/MM Method to Study Molecular Crystals Using BRABO/CHARMM:
Application to 2-(2-Methyl-3-chloroanilino) Nicotinic Acid
Ben Swerts, Joris Van Droogenbroeck, Anik Peeters, and Christian Van Alsenoy
pp 4245 - 4250;
Theoretical Study of Gas Phase Tautomerization Reactions for the Ground and
First Excited Electronic States of Adenine
Latasha M. Salter and Galina M. Chaban
pp 4251 - 4256;
Rayleigh Depolarization Ratios, Kerr Effects, Polarizabilities, and
Hyperpolarizabilities of CH3Br, CH2Br2, CHBr3, and CBr4. Comparison of
Experimental and ab Initio Calculated Polarizabilities
Ewan W. Blanch, Roland I. Keir, and Geoffrey L. D. Ritchie
pp 4257 - 4262;
Molecular Structure and Conformation of 1,1-Dichloro-2-propanone, CHCl2-C(=O)-
CH3, as Determined by Gas-Phase Electron Diffraction and ab Initio Molecular
Orbital Calculations
Kolbjrn Hagen, Quang Shen, Richard Carter, and Mike Marion
pp 4263 - 4266;
Hydrogen Bonding between Phenol and Acetonitrile
Eugene S. Kryachko and Minh Tho Nguyen
pp 4267 - 4271;
GENERAL PHYSICAL CHEMISTRY
New Insights on the Photochromism of 2-(2',4'-Dinitrobenzyl)pyridine
A. Corval, R. Casalegno, O. Ziane, and H. D. Burrows
pp 4272 - 4276;
Sigma versus Pi Interactions in Alkali Metal Ion Binding to Azoles: Threshold
Collision-Induced Dissociation and ab Initio Theory Studies
H. Huang and M. T. Rodgers
pp 4277 - 4289;