Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.12 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

2253 - 2256	Structure and energetics of the hydronium hydration shells Markovitch O, Agmon N
2257 - 2265	Investigation of the S-1/ICT -> S-0 internal conversion lifetime of 4'-apo-beta-caroten-4'-al and 8'-apo-beta-caroten-8'-al: Dependence on conjugation length and solvent polarity Ehlers F, Wild DA, Lenzer T, Oum K
2266 - 2275	Ion-molecule chemistry within boron tribromide clusters: Experiment and theory Hales DA, Kautzman KE, Williams NG, Haile PA, Barker MP
2276 - 2282	Relaxation properties of porphyrin, diprotonated porphyrin, and isoelectronic tetraoxaporphyrin dication in the S-2 state Marcelli A, Foggi P, Moroni L, Gellini C, Salvi PR, Badovinac IJ
2283 - 2292	Unimolecular reactions of vibrationally excited CF2ClCHFCH3 and CF2ClCHFCD3: Evidence for the 1,2-FCl interchange pathway Burgin MO, Simmons JG, Heard GL, Setser DW, Holmes BE
2293 - 2298	Spectroscopic and theoretical investigation of (R)-3-methylcyclopentanone. The effect of solvent and temperature on the distribution of conformers Al-Basheer W, Pagni RM, Compton RN
2299 - 2306	Quantum chemical study of atomic structure evolution of Co-x/C-60 (x <= 2.8) composites Avramov P, Naramoto H, Sakai S, Narumi K, Lavrentiev V, Maeda Y
2307 - 2318	Molecular structural formulas as one-electron density and hamiltonian operators: The VIF method extended Alia JD
2319 - 2328	The nature of Halogen center dot center dot center dot Halide synthons: Theoretical and crystallographic studies Awwadi FF, Willett RD, Peterson KA, Twamley B
2329 - 2335	Intrinsic flexing abilities of molecular muscles based on tetrakis(2,3-thienylene): A quantum mechanical study Aleman C, Casanovas J
2336 - 2342	Novel lattice-searching method for modeling the optimal strain-free close-packed isomers of clusters Cheng LJ, Yang JL
2343 - 2350	Theoretical investigation on stability and isomerizations of CH3SO isomers Li XY, Fan HM, Meng LP, Zeng YL, Zheng SJ
2351 - 2361	Electron-transfer induced repair of 6-4 photoproducts in DNA: A computational study Borg OA, Eriksson LA, Durbeej B
2362 - 2367	Structural investigation of asymmetrical dimer radical cation system (H2O-H2S)(+): Proton-transferred or hemi-bonded? Joshi R, Ghanty TK, Naumov S, Mukherjee T
2368 - 2375	Heterocyclic analogues of cyclohexene: Theoretical studies of the molecular structures and ring-inversion processes Shishkina SV, Shishkin OV, Desenko SM, Leszczynski J
2376 - 2384	Differential and integral cross sections of the N(D-2)+H-2 -> NH+H reaction from exact quantum and quasi-classical trajectory calculations Lin SY, Banares L, Guo H
2385 - 2397	Modulation of electronic properties in neutral and oxidized oligothiophenes substituted with conjugated polyaromatic hydrocarbons Clarke TM, Gordon KC, Wagner P, Officer DL
2398 - 2406	Complexes of atmospheric alpha-dicarbonyls with water: FTIR matrix isolation and theoretical study Mucha M, Mielke Z
2407 - 2419	Multidimensional quantum dynamical study of beta-hydrogen transfer in a cationic rhodium complex Bittner M, Koppel H, Gatti F
2420 - 2425	Structure and stability of Al-doped boron clusters by the density-functional theory Feng XJ, Luo YH
2426 - 2433	Interaction of dihydrogen with small and light molecules Hubner O, Klopper W
2434 - 2441	Application of a novel linear/exponential hybrid force field scaling scheme to the longitudinal Raman active mode of polyyne Yang SJ, Kertesz M, Zolyomi V, Kurti J
2442 - 2447	Nucleophilicity index from perturbed electrostatic potentials Cedillo A, Contreras R, Galvan M, Aizman A, Andres J, Safont VS
2448 - 2454	QSPR for physical properties of cata-condensed benzenoids using two simple dualist-based descriptors Balaban AT, Pompe M