Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.18 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

3347 - 3350	Large predicted changes in geometry accompanying charge separation in various "rigid" multichromophoric systems in the gas phase: An ab initio MO study Shephard MJ, Paddon-Row MN
3351 - 3355	Probing temperature effects on the hydrogen bonding network of the Cl-(H2O)(2) cluster Dorsett HE, Watts RO, Xantheas SS
3356 - 3363	Phenyl ring dynamics of enkephalin molecules and behavior of bound solvents in the crystalline states by H-2 NMR spectroscopy Kamihira M, Naito A, Tuzi S, Saito H
3364 - 3371	Simulations of condensed phase photochemistry: Cage effect and internal conversion in azoalkanes and nitrosamines Cattaneo P, Granucci G, Persico M
3372 - 3377	Excited state dynamics of a julolidino analogue of crystal violet: A relaxation path through a conical intersection? Jurczok M, Plaza P, Martin MM, Rettig W
3378 - 3382	Excited-state photophysics and dynamics of a hemicyanine dye in AOT reverse micelles Kim J, Lee M
3383 - 3387	Dynamic NMR study of ligand exchange reactions in U(VI)-phosphonic acid systems Muntean JV, Nash KL, Rickert PG, Sullivan JC
3388 - 3401	Photoinduced intramolecular charge transfer in a series of differently twisted donor - Acceptor biphenyls as revealed by fluorescence Maus M, Rettig W, Bonafoux D, Lapouyade R
3402 - 3409	Energy migration and excimer formation in quasi-two-dimensional polymer films as revealed by the time-resolved fluorescence depolarization measurement Sato N, Ito S, Sugiura K, Yamamoto M
3410 - 3417	Reactions of laser ablated rhodium atoms with nitrogen atoms and molecules. Infrared spectra and density functional calculations on rhodium nitrides and dinitrogen complexes Citra A, Andrews L
3418 - 3422	The a(1)Delta(g) -> X-3 Sigma(-)(g) transition in molecular oxygen: Interpretation of solvent effects on spectral shifts Poulsen TD, Ogilby PR, Mikkelsen KV
3423 - 3429	Investigation of free singly and doubly charged alkali metal sulfate ion pairs: M+(SO42-) and [M+(SO42-)](2) (M = Na, K) Wang XB, Ding CF, Nicholas JB, Dixon DA, Wang LS
3430 - 3437	Low magnetic field dependence of the P-31 chemically induced dynamic nuclear polarization in the photolysis of a benzoyl phosphonate. Role of S-T- mechanism Ananchenko GS, Purtov PA, Bagryanskaya EG, Sagdeev RZ
3438 - 3441	Temperature effects on the kinetics of carbonate radical reactions in near-critical and supercritical water Ferry JL, Fox MA
3442 - 3446	Complex pattern formation in the polyacrylamide-methylene blue-oxygen reaction Steinbock O, Kasper E, Muller SC
3447 - 3450	Acidity of the carbonate radical Czapski G, Lymar SV, Schwarz HA
3451 - 3454	Stochastic resonance under two-parameter modulation in a chemical model system Amemiya T, Ohmori T, Yamamoto T, Yamaguchi T
3455 - 3457	New types of mixed-mode periodic oscillations in the Belousov-Zhabotinsky reaction in continuously stirred tank reactors Rachwalska M, Kawczynski AL
3458 - 3461	Laser flash photolysis study of methyl derivatives of phenyl azide Gritsan NP, Gudmundsdottir AD, Tigelaar D, Platz MS
3462 - 3471	A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region Lyne PD, Hodoscek M, Karplus M
3472 - 3480	Ab initio study of the reaction mechanism of CH3+ and CH3- with CH2=CNa(OH) Wang Y, Dolg M, Bian WS, Deng CH
3481 - 3488	Tuning of structural and magnetic properties of nitronyl nitroxides by the environment. A combined experimental and computational study Adamo C, di Matteo A, Rey P, Barone V
3489 - 3494	Py*Pu center dot Py type triplexes with modified bases: Ab initio SCF-MO studies toward improved DNA recognition Venkateswarlu D, Leszczynski J
3495 - 3504	Potential energy surfaces for Tc plus CO, Re plus CO, and Ta plus CO and periodic trends of the second- and third-row transition metals interaction with CO Tan H, Liao MZ, Dai DG, Balasubramanian K
3505 - 3511	Assessment of density functional methods for the calculation of ionization potentials of unsaturated molecules Joanteguy S, Pfister-Guillouzo G, Chermette H
3512 - 3517	Molecular electrostatics for exploring complexes of carbonyl compounds and hydrogen fluoride Gadre SR, Bhadane PK
3518 - 3524	Theoretical study of CnP, CnP+, CnP- (n=1-7) clusters Pascoli G, Lavendy H
3525 - 3529	Fourier transform infrared study on hydrogen bonding species of carboxylic acids in supercritical carbon dioxide with ethanol Yamamoto M, Iwai Y, Nakajima T, Arai Y
3530 - 3534	On the nature of the water-hexafluorobenzene interaction Danten Y, Tassaing T, Besnard M
3535 - 3547	Coexistence of neutral and ion-pair clusters of hydrated sulfuric acid H2SO4(H2O)n (n=1-5) - A molecular orbital study Re S, Osamura Y, Morokuma K
3548 - 3553	Hydrogen abstraction from methane and hydrofluoromethanes by center dot OH radical: Modified GAUSSIAN-2 study Korchowiec J, Kawahara S, Matsumura K, Uchimaru T, Sugie M
3554 - 3561	Conformational analysis of malonamide, N,N ＇-dimethylmalonamide, and N,N,N ＇,N ＇-tetramethylmalonamide Sandrone G, Dixon DA, Hay BP
3562 - 3568	Gas phase free energies of formation and free energies of solution of C-alpha-centered free radicals from alcohols: A quantum mechanical - Monte Carlo study Block DA, Armstrong DA, Rauk A
3569 - 3574	Effect of proton transfer on the anionic and cationic pathways of pyrimidine photodimer cleavage. A computational study Rak J, Voityuk AA, Michel-Beyerle ME, Rosch N
3575 - 3580	On the possibility of mixed Rydberg-valence bonds Boldyrev AI, Simons J
3581 - 3588	Reduction potentials of SO3 center dot-, SO5 center dot-, and S4O6 center dot 3- radicals in aqueous solution Das TN, Huie RE, Neta P