Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.51 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

11261 - 11263	Evaluation of activation volumes for the conversion of peroxynitrous to nitric acid Kissner R, Thomas C, Hamsa MSA, van Eldik R, Koppenol WH
11264 - 11266	Organometallic complexes for nonlinear optics. 33. Electrochemical switching of the third-order nonlinearity observed by simultaneous femtosecond degenerate four-wave mixing and pump-probe measurements Powell CE, Humphrey MG, Cifuentes MP, Morrall JP, Samoc M, Luther-Davies B
11267 - 11270	Cages of water coordinating Kr in aqueous solution LaViolette RA, Copeland KL, Pratt LR
11271 - 11291	On the dissociation of aromatic radical anions in solution. 1. Formulation and application to p-cyanochlorobenzene radical anion Laage D, Burghardt I, Sommerfeld T, Hynes JT
11292 - 11306	On the dissociation of aromatic radical anions in solution. 2. Reaction path and rate constant analysis Burghardt I, Laage D, Hynes JT
11307 - 11318	Energetics and dynamics of naphthalene polyaminic derivatives. Influence of structural design in the balance static vs dynamic excimer formation de Melo JS, Pina J, Pina F, Lodeiro C, Parola AJ, Lima JC, Albelda MT, Clares MP, Garcia-Espana E, Soriano C
11319 - 11323	Infrared photodissociation spectroscopy of protonated formic acid and acetic acid clusters Inokuchi Y, Nishi N
11324 - 11330	Mid- and near-IR electronic absorption spectrum of CoO isolated in solid neon. Vibronic data for low-lying electronic states Danset D, Manceron L
11331 - 11339	Observation and interpretation of annulated porphyrins: Studies on the photophysical properties of meso-tetraphenylmetalloporphyrins Rogers JE, Nguyen KA, Hufnagle DC, McLean DG, Su WJ, Gossett KM, Burke AR, Vinogradov SA, Pachter R, Fleitz PA
11340 - 11346	The excited-state symmetry characteristics of platinum phenylacetylene compounds Emmert LA, Choi W, Marshall JA, Yang J, Meyer LA, Brozik JA
11347 - 11353	Permanent dipole of metal-benzene molecules: Evidence for long-range weakly bound states? Rabilloud F, Rayane D, Allouche AR, Antoine R, Aubert-Frecon M, Broyer M, Compagnon I, Dugourd P
11354 - 11360	Anion of tetrachloroethane (Tetra): Fragmentation and geminate ion kinetics in liquid methylcyclohexane (MCH) Buhler RE, Quadir MA
11361 - 11370	Geminate ion kinetics for hexa-, penta- and tetrachloroethane in liquid methylcyclohexane (MCH): Effect of the anion lifetimes Quadir MA, Azuma T, Domazou AS, Katsumura Y, Buhler RE
11371 - 11379	Infrared spectra of gallium hydrides in solid hydrogen: GaH1,2,3, Ga2H2,4,6, and the GaH2,4- anions Wang XF, Andrews L
11380 - 11385	Matrix isolation FTIR spectroscopic and density functional theoretical studies of the reactions of magnesium atoms with methanol Huang ZG, Chen MH, Liu QN, Zhou MF
11386 - 11390	Quantum mechanical studies of CH3ClO3 isomers and the CH3O2+ClO reaction pathways Drougas E, Jalbout AF, Kosmas AM
11391 - 11400	Ab initio studies of solvent effects on molecular conformation and vibrational spectra of diglycine zwitterion Nandini G, Sathyanarayana DN
11401 - 11408	One-photon mass-analyzed threshold ionization spectroscopy of trans- and cis-1-C3H5Br: Ionization energies and vibrational assignments for the cations Lee M, Kim MS
11409 - 11413	Multiscale ice fluidity in NOx photodesorption from frozen nitrate solutions Boxe CS, Colussi AJ, Hoffmann MR, Tan D, Mastromarino J, Case AT, Sandholm ST, Davis DD
11414 - 11426	Experimental and theoretical investigations on the methyl-methyl recombination reaction Wang BS, Hou H, Yoder LM, Muckerman JT, Fockenberg C
11427 - 11432	Low-energy electron attachment by chloroalkanes Barszczewska W, Kopyra J, Wnorowska J, Szamrej I
11433 - 11439	Uptake measurements of dibasic esters by water droplets and determination of their Henry's law constants Katrib Y, Le Calve S, Mirabel P
11440 - 11444	DFT study on nitration mechanism of benzene with nitronium ion Chen LT, Xiao HM, Xiao JJ, Gong XD
11445 - 11459	A standard set of pericyclic reactions of hydrocarbons for the benchmarking of computational methods: The performance of ab initio, density functional, CASSCF, CASPT2, and CBS-QB3 methods for the prediction of activation barriers, reaction energetics, and transition state geometries Guner V, Khuong KS, Leach AG, Lee PS, Bartberger MD, Houk KN
11460 - 11467	Thermochemistry of furancarboxylic acids Roux MV, Temprado M, Jimenez P, Perez-Parajon J, Notario R
11468 - 11482	Effects of porphyrin core saddling, meso-phenyl twisting and counterions on the optical properties of meso-tetraphenylporphyrin diacids: The [H4TPP](X)(2) (X = F, Cl, B, I) series as a case study Rosa A, Ricciardi G, Baerends EJ, Romeo A, Scolaro LM
11483 - 11488	Application of condensed Fukui functions to cobalt macrocycle complexes Cardenas-Jiron GI, Parra-Villalobos E
11489 - 11496	Correlation of dissociation constants of 2-and 2,6-substituted anilines in water by methods based on the similarity principle and quantum-chemistry calculations Pytela O, Otyepka M, Kulhanek J, Otyepkova E, Nevecna T
11497 - 11504	Formation of the silicon analogues of isocyanic acid, HNSiO, and its isomers by neutral-neutral reactions of the fragments: A computational study Raghunath P, Sitha S, Bhanuprakash K, Choudary BM
11505 - 11516	Theoretical and spectroscopic study of a series of styryl-substituted terthiophenes Clarke TM, Gordon KC, Officer DL, Hall SB, Collis GE, Burrell AK
11517 - 11524	Proton donor is more important than proton acceptor in hydrogen bond formation: A universal equation for calculation of hydrogen bond strength Bian L
11525 - 11532	Computational studies of the chemistry of Syn acetaldehyde oxide Kuwata KT, Ternpleton KL, Hasson AS
11533 - 11538	Gas-phase absolute Ca2+ and Mg2+ affinity for nucleic acid bases. A theoretical determination Russo N, Toscano M, Grand A
11539 - 11546	Importance of fourth-order zero-field splitting terms in random-orientation EPR spectra of Eu(II)-doped strontium aluminate Matsuoka H, Furukawa K, Sato K, Shiomi D, Kojima Y, Hirotsu K, Furuno N, Kato T, Takui T
11547 - 11552	Ab initio studies of static dipole polarizability of the polymeric beryllium hydride chain Abdurahman A
11553 - 11557	pi-electron currents induced in polycyclic benzenoid hydrocarbons and their relationship to Clar structures Aihara J
11558 - 11564	Counterion and temperature effects on aqueous ionic perfluoropolyether micellar solutions by small-angle neutron scattering Gambi CMC, Giordano R, Chittofrati A, Pieri R, Baglioni P, Teixeira J
11565 - 11576	Computational study of the reactions of BH2+ with H-2, methane, ethane, ethylene, and acetylene in the gas phase Zeng X, Davico GE
11577 - 11586	Atomic additivity of the correlation energy in molecules by the DFT-B3LYP scheme Baric D, Maksic ZB
11587 - 11595	Photoprocesses of p-benzoquinones in aqueous solution Gorner H