Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.29 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (22 articles)

6083 - 6086	Cascaded energy redistribution upon O-H stretching excitation in an intramolecular hydrogen bond Heyne K, Nibbering ETJ, Elsaesser T, Petkovic M, Kuhn O
6087 - 6089	The S-2 -> S-1 internal conversion of benzophenone and p-iodobenzophenonel Shah BK, Rodgers MAJ, Neckers DC
6090 - 6095	Rotational dynamics of nondipolar probes in butanols: Correlation of reorientation times with solute-solvent interaction strengths Dutt GB, Ghanty TK
6096 - 6099	C-13 NMR relaxation rates: Separation of dipolar and chemical shift anisotropy effects Carper WR, Wahlbeck PG, Dolle A
6100 - 6108	Molecular dynamics with molecular temperature Phares DJ, Srinivasa AR
6109 - 6116	Nonradiative electronic relaxation rate constants from approximations based on linearizing the path-integral forward-backward action Shi Q, Geva E
6117 - 6126	Solvent-dependent ground- and excited-state tautomerism in 2-(6'-hydroxy-2'-pyridyl)benzimidazole Penedo JC, Lustres JLP, Lema IG, Rodriguez MCR, Mosquera M, Rodriguez-Prieto F
6127 - 6144	Theoretical investigation of the coordination of N-2 Ligands to the cluster Ni-3 Aleksandrov HA, Vayssilov GN, Rusch N
6145 - 6150	Hydrogen bonding of water in aqueous solutions of trimethylamine-N-oxide and tert-butyl alcohol: A near-infrared spectroscopy study Di Michele A, Freda M, Onori G, Santucci A
6151 - 6155	Stability, structure, and vibrations of metal-doped selenium clusters Herwig C, Banser D, Schnell M, Becker JA
6156 - 6164	Nucleobase pair analogues 2-pyridone-uracil, 2-pyridone-thymine, and 2-pyridone-5-fluorouracil: Hydrogen-bond strengths and intermolecular vibrations Muller A, Leutwyler S
6165 - 6174	Infrared predissociation spectroscopy of large water clusters: A unique probe of cluster surfaces Steinbach C, Andersson P, Kazimirski JK, Buck U, Buch V, Ben TA
6175 - 6182	Specific effects of room temperature ionic liquids on cleavage reactivity: Example of the carbon-halogen bond breaking in aromatic radical anions Lagrost C, Gmouh S, Vaultier M, Hapiot P
6183 - 6185	Experimental kinetics study of the reaction of boron atoms, B(P-2(J)), with ethylene at very low temperatures (23-295 K) Canosa A, Le Picard SD, Geppert WD
6186 - 6194	IR spectra of phosphate ions in aqueous solution: Predictions of a DFT/MM approach compared with observations Klahn M, Mathias G, Kotting C, Nonella M, Schlitter J, Gerwert K, Tavan P
6195 - 6205	Conformation dependence of pK(a): Ab initio and DFT investigation of histidine Hudaky M, Perczel A
6206 - 6215	A theoretical investigation of the decarbonylation of methoxy(siloxy)carbene Loncke PG, Peslherbe GH
6216 - 6221	Experimental and theoretical study of pentaerythritol tetranitrate conformers Gruzdkov YA, Dreger ZA, Gupta YM
6222 - 6230	Reactions of one-electron-oxidized methionine with oxygen: An ab initio study Huang ML, Rauk A
6231 - 6238	Hyperconjugation: The electronic mechanism that may underlie the Karplus curve of vicinal NMR indirect spin couplings Provasi PF, Gomez CA, Aucar GA
6239 - 6247	Pharmacophore fragment-based prediction and gas-phase ab initio optimization of carvedilol conformations Almeida DRP, Gasparro DM, Fulop F, Csizmadia IG
6248 - 6256	Solvent effects on the electronic spectra: An extension of the polarizable continuum model to the ZINDO method Caricato M, Mennucci B, Tomasi J