Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.6 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

2081 - 2088	Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides Liu GK, Jensen MP, Almond PM
2089 - 2096	Novel ground- and excited-state prototropic reactivity of a hydroxycarboxyflavylium salt Paulo L, Freitas AA, da Silva PF, Shimizu K, Quina FH, Macanita AL
2097 - 2105	Amorphous solid water films: Transport and guest-host interactions with CO2 and N2O dopants Kumi G, Malyk S, Hawkins S, Reisler H, Wittig C
2106 - 2113	Thermal vaporization of biological nanoparticles: fragment-free vacuum ultraviolet photoionization mass spectra of tryptophan, phenylalanine-glycine-glycine, and, beta-carotene Wilson KR, Jimenez-Cruz M, Nicolas C, Belau L, Leonet SR, Ahmed M
2114 - 2121	Cavity ring-down spectroscopy of the torsional motions of 1,4-bis(phenylethynyl)benzene Greaves SJ, Flynn EL, Futcher EL, Wrede E, Lydon DP, Low PJ, Rutter SR, Beeby A
2122 - 2129	Analysis of vibrational circular dichroism spectra of (S)-(+)-2-butanol by rotational strengths expressed in local symmetry coordinates Shin S, Nakata M, Hamada Y
2130 - 2133	Vibronic structure of jet-cooled 2,6-dimethylbenzyl radical: Revisited Lee GW, Lee SK
2134 - 2138	Spectroscopic and quantum chemical study of the novel compound cyclopropylmethylselenol Cole GC, Mollendal H, Guillemin JC
2139 - 2146	Conformation and intramolecular hydrogen bonding of 2-chloroacetamide as studied by microwave spectroscopy and quantum chemical calculations Mollendal H, Samdal S
2147 - 2156	Q-band EPR and ENDOR of low temperature X-irradiated beta-D-fructose single crystals Vanhaelewyn GCAM, Pauwels E, Callens FJ, Waroquier M, Sagstuen E, Matthys PFAE
2157 - 2164	Reactivity of small MoxOy- clusters toward methane and ethane Wyrwas RB, Yoder BL, Maze JT, Jarrold CC
2165 - 2175	An optimized semidetailed submechanism of benzene formation from propargyl recombination Tang WY, Tranter RS, Brezinsky K
2176 - 2180	Free radical chemistry of disinfection-byproducts. 1. Kinetics of hydrated electron and hydroxyl radical reactions with halonitromethanes in water Mezyk SP, Helgeson T, Cole SK, Cooper WJ, Fox RV, Gardinali PR, Mincher BJ
2181 - 2187	Chemoselectivities in acetalization, thioacetalization, oxathioacetalization and azathioacetalization Roy RK, Bagaria P, Naik S, Kavala V, Patel BK
2188 - 2194	Car-parrinello molecular dynamics simulation of liquid formic acid Bako I, Hutter J, Palinkas G
2195 - 2203	Mechanistic insights into NO3 center dot induced self-terminating radical oxygenations, Part 1: A computational study on NO3 center dot and its addition to alkynes Wille U, Dreessen T
2204 - 2213	Explicit solvent DRF INDOs/CIS computations of charge transfer state energetics in a pyrenyldeoxyuridine nucleoside model Van Duijnen PT, Netzel TL
2214 - 2224	Shape persistence and bistability of planar three-fold core polyphenylene dendrimers: A molecular dynamics study Carbone P, Calabretta A, Di Stefano M, Negri F, Mullen K
2225 - 2230	Cooperative effects and strengths of hydrogen bonds in open-chain cis-triaziridine clusters (n=2-8): A DFT investigation Song HJ, Xiao HM, Dong HS, Zhu WH
2231 - 2234	La-2@C-72 and Sc-2@C-72: Computational characterizations Slanina Z, Chen ZF, Schleyer PVR, Uhlik F, Lu X, Nagase S
2235 - 2245	Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (Direct COSMO-RS) Sinnecker S, Rajendran A, Klamt A, Diedenhofen M, Neese F
2246 - 2252	Alkylation of phenol: A mechanistic view Ma QS, Chakraborty D, Faglioni F, Muller RP, Goddard WA, Harris T, Campbell C, Tang YC
2253 - 2258	Preferential solvation of phenol in binary solvent mixtures. A molecular dynamics study Dahlberg M, Laaksonen A
2259 - 2268	Chiral recognition in self-complexes of tetrahydroimidazo[4,5-d]imidazole derivatives: From dimers to heptamers Alkorta I, Picazo O, Elguero J
2269 - 2282	Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using a initio methods Hunt PA, Gould IR
2283 - 2289	Electronic compressibility and polarizability: Origins of a correlation Donald KJ
2290 - 2298	Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrin Tam MC, Crawford TD
2299 - 2307	Energetics of the thermal dimerization of acenaphthylene to heptacyclene Santos RC, Bernardes CES, Diogo HP, Piedade AFM, Lopes JNC, da Piedade MEM
2308 - 2313	Physical nature of interactions within the active site of cytosine-5-methyltransferase Forde GK, Kedzierski P, Sokalski WA, Forde AE, Hill GA, Leszczynski J