Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.16 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (42 articles)

3991 - 3997	Dynamics for solubilization of naphthalene and pyrene into n-decyltrimethylammonium perfluorocarboxylate micelles Yoshida N, Moroi Y, Humphry-Baker R, Gratzel M
3998 - 4004	Internal rotation and intermolecular vibrations of the phenol-methanol cluster: A comparison of spectroscopic results and ab initio theory Plutzer C, Jacoby C, Schmitt M
4005 - 4013	A high mass resolution study of the interaction of aromatic and nitro-aromatic molecules with intense laser fields Tasker AD, Robson L, Ledingham KWD, McCanny T, Hankin SM, McKenna P, Kosmidis C, Jaroszynski DA, Jones DR
4014 - 4021	Excited state dynamics of organo-lanthanide electroluminescent phosphors: The properties of Tb(tb-pmp)(3) and Gd(tb-pmp)(3) Thorne JRG, Rey JM, Denning RG, Watkins SE, Etchells M, Green M, Christou V
4022 - 4027	High-resolution electronic spectra of 2-hydroxy and 2-aminopyridine. Perturbing effects of the nitrogen atom in the aromatic ring Borst DR, Roscioli JR, Pratt DW
4028 - 4031	Quadrupole coupling parameters of olefinic deuterons: H-2 MAS NMR spectroscopy of photochromic spiropyran and merocyanines Parker WO, Hobley J, Malatesta V
4032 - 4037	Solvent effects on conformationally induced enhancement of the two-photon absorption cross section of a pyridinium-N-phenolate betaine dye. A quantum chemical study Zalesny R, Bartkowiak W, Styrcz S, Leszczynski J
4038 - 4041	Matrix infrared spectra and quasirelativistic DFT studies of ThS and ThS2 Liang B, Andrews L
4042 - 4053	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(O-2)CO Liang B, Andrews L
4054 - 4060	Solubility of methanol in low-temperature aqueous sulfuric acid and implications for atmospheric particle composition Iraci LT, Essin AM, Golden DM
4061 - 4067	Convection-induced absorption oscillations in a cuvette after irradiation of a pentazadiene solution by laser pulses Gassmann F, Lippert T, Wei J, Wokaun A
4068 - 4076	Passive barrier as a transformer of "chemical signal" frequency Sielewiesiuk J, Gorecki J
4077 - 4083	A VTST study of the H+O-3 and O+HO2 reactions using a six-dimensional DMBE potential energy surface for ground state HO3 Fernandez-Ramos A, Varandas AJC
4084 - 4086	The rate constant of the reaction of superoxide with nitrogen monoxide: Approaching the diffusion limit Nauser T, Koppenol WH
4087 - 4103	Ultrafast electron diffraction and structural dynamics: Transient intermediates in the elimination reaction of C2F4I2 Ihee H, Goodson BM, Srinivasan R, Lobastov VA, Zewail AH
4104 - 4114	Electronic structure and vibrational modes of cobalt oxide clusters CoOn (n=1-4) and their monoanions Uzunova EL, St Nikolov G, Mikosch H
4115 - 4124	Conformational analyses of native and permethylated disaccharides Mendonca S, Johnson GP, French AD, Laine RA
4125 - 4136	Quasiclassical trajectory and transition state theory studies of the N(S-4)+H-2 <-> NH(X-3 Sigma(-))+H reaction Pascual RZ, Schatz GC, Lendvay G, Troya D
4137 - 4144	Theoretical studies of isomerization reactions of 2-pentoxy radical and its derivatives including the unsaturated alkoxy radicals Lin CY, Ho JJ
4145 - 4152	Sampling the configuration space of finite atomic systems: How ergodic is molecular dynamics? Calvo F, Galindez J, Gadea FX
4153 - 4157	Density functional studies of the reactions of lanthanide monocations with fluoromethane: C-F bond activation and electron-transfer reactivity Zhang D, Liu C, Bi S
4158 - 4167	Ab initio investigation of the structure and spectroscopy of hydronium-water clusters Sobolewski AL, Domcke W
4168 - 4175	Resonance Raman spectra simulation of the 4,4'-bipyridine anion radical and N-protonated radical Lapouge C, Buntinx G, Poizat O
4176 - 4180	An investigation of the O-17 NMR chemical shifts in oxiranes using magnetically corrected basis sets Rossikhin VV, Okovytyy SI, Kasyan LI, Voronkov EO, Umrikhina LK, Leszczynski J
4181 - 4186	Vanadium insertion into CO2, CS2 and OCS: A comparative theoretical study Papai I, Hannachi Y, Gwizdala S, Mascetti J
4187 - 4191	Hydrogen-bonding interactions between formic acid and pyridine Fernandez-Berridi MJ, Iruin JJ, Irusta L, Mercero JM, Ugalde JM
4192 - 4199	A comparison of the electronic transition energies for ethene, isobutene, formaldehyde, and acetone calculated using RPA, TDDFT, and EOM-CCSD. Effect of basis sets Wiberg KB, de Oliveira AE, Trucks G
4200 - 4204	Hardness and polarizability profiles for intramolecular proton transfer in water dimer radical cation Ghanty TK, Ghosh SK
4205 - 4216	Quantum chemical investigation of initial reactions between the molecular precursor TADB and ammonia. 1. Gas-phase reactions Reinhardt S, Gastreich M, Marian CM
4217 - 4225	Theoretical study of AlCn, AlCn+, and AlCn- (n=1-7) clusters Largo A, Redondo P, Barrientos C
4226 - 4229	Theoretical study of the reaction of yttrium with formaldehyde Bayse CA
4230 - 4235	Structure of cis,trans-1,4-difluorobutadiene from microwave spectroscopy Craig NC, Oertel CM, Oertel DC, Tubergen MJ, Lavrich RJ, Chaka AM
4236 - 4239	First-principles kinetics of CO desorption from oxygen species on carbonaceous surface Montoya A, Mondragon F, Truong TN
4240 - 4244	Density functional theory study of the isomers of C6N Chuchev K, BelBruno JJ
4245 - 4250	A linearly scaling QM/MM method to study molecular crystals using BRABO/CHARMM: Application to 2-(2-methyl-3-chloroanilino) nicotinic acid Swerts B, Van Droogenbroeck J, Peeters A, Van Alsenoy C
4251 - 4256	Theoretical study of gas phase tautomerization reactions for the ground and first excited electronic states of adenine Salter LM, Chaban GM
4257 - 4262	Rayleigh depolarization ratios, Kerr effects, polarizabilities, and hyperpolarizabilities of CH3Br, CH2Br2,CHBr3, and CBr4. Comparison of experimental and a initio calculated polarizabilities Blanch EW, Keir RL, Ritchie GLD
4263 - 4266	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 Hagen K, Shen Q, Carter R, Marion M
4267 - 4271	Hydrogen bonding between phenol and acetonitrile Kryachko ES, Nguyen MT
4272 - 4276	New insights on the photochromism of 2-(2',4'-dinitrobenzyl)pyridine Corval A, Casalegno R, Ziane O, Burrows HD
4277 - 4289	Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies Huang H, Rodgers MT
4290 - 4290	Binary diol-water systems studied by O-17 nuclear magnetic resonance spectroscopy. Interpretation of the effect of diol structure on O-17-water chemical shift. Formation of networks of water molecules stabilized by weak C-H center dot center dot center dot O interactions (vol 105, pg 9299, 2001) Klein RA, Pacheco V