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;