Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.22 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (37 articles)

7011 - 7018	Dynamical calculations of charge-transfer-to-solvent excited states of small I-(CH3CN)(n) clusters Takayanagi T
7019 - 7027	Solvent effect on intramolecular electron transfer rates of mixed-valence biferrocene monocation derivatives Masuda Y, Shimizu C
7028 - 7034	Ultrafast solvation dynamics of coumarin 153 in imidazolium-based ionic liquids Lang B, Angulo G, Vauthey E
7035 - 7044	Irreducible representation and projection operator application to understanding nonlinear optical phenomena: Hyper-raman, sum frequency generation, and four-wave mixing spectroscopy Lee SH, Wang J, Krimm S, Chen Z
7045 - 7056	Photochemistry of bromofluorobenzenes Borg OA, Liu YJ, Persson P, Lunell S, Karlsson D, Kadi M, Davidsson J
7057 - 7066	Ensemble and single-molecule fluorescence spectroscopy of a calcium-ion indicator dye Bagh S, Paige MF
7067 - 7071	Solvent effects on the optical rotation of (S)-(-)-alpha-methylbenzylamine Fischer AT, Compton RN, Pagni RM
7072 - 7079	OH-stretch vibrational spectroscopy of hydroxymethyl hydroperoxide Fry JL, Matthews J, Lane JR, Roehl CM, Sinha A, Kjaergaard HG, Wennberg PO
7080 - 7085	Rotational spectrum and inversion motions in the neon-dimethyl sulfide complex Peebles SA, Peebles RA, Tatamitani Y, Kawashima Y
7086 - 7091	Femtosecond studies of charge-transfer mediated proton transfer in 2-butylamino-6-methyl-4-nitropyridine N-oxide Poor B, Michniewicz N, Kallay M, Buma WJ, Kubinyi M, Szemik-Hojniak A, Deperasinska I, Puszko A, Zhang H
7092 - 7096	Reactions of laser-ablated zinc and cadmium atoms with CO: Infrared spectra of the Zn(CO)(x) (x=1-3), CdCO-, and Cd(CO)(2) molecules in solid neon Jiang L, Teng YL, Xu Q
7097 - 7104	Collision-energy-resolved penning ionization electron spectroscopy of thiazole and benzothiazole: Study of ionic states and anisotropic interactions between a metastable He*(2(3)S) atom and hetero cyclic compounds Yamazaki M, Kishimoto N, Ohno K
7105 - 7112	Ammonium bisulfate/water: A pseudobinary system Beyer KD, Bothe J
7113 - 7121	Trajectory dynamics study of collision-induced dissociation of the Ar+CH4 reaction at hyperthermal conditions: Vibrational excitation and isotope substitution Marques JMC, Martinez-Nunez E, Vazquez SA
7122 - 7129	The liquid water-benzene system Baron M, Kowalewski VJ
7130 - 7137	Reactions of F+(P-3) and F+(D-1) with silicon oxide. Possibility of spin-forbidden processes Trujillo C, Lamsabhi AM, Mo O, Yanez M
7138 - 7143	Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study Yin SW, Yi YP, Li QX, Yu G, Liu YQ, Shuai ZG
7144 - 7158	Modeling the decomposition mechanism of artemisinin Moles P, Oliva N, Safont VS
7159 - 7166	Absorption spectra of caffeic acid, caffeate and their 1 : 1 complex with Al(III): Density functional theory and time-dependent density functional theory investigations Cornard JP, Lapouge C
7167 - 7172	Density functional study of the interaction of carbon monoxide with small neutral and charged silver clusters Zhou J, Li ZH, Wang WN, Fan KN
7173 - 7177	Geometry, chemical bonding, and electronic spectra of Si-n and Si-n-glycine (n=3-5) complexes Park S, Lee S, Neuhauser D
7178 - 7188	Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate Kurten T, Sundberg MR, Vehkamaki H, Noppel M, Blomqvist J, Kulmala M
7189 - 7196	Ab initio diradical/zwitterionic polarizabilities and hyperpolarizabilities in twisted double bonds Isborn CM, Davidson ER, Robinson BH
7197 - 7201	Ab initio/GIAO-CCSD(T) study of bicyclic and related strained olefins. structures and C-13 NMR chemical shifts Rasul G, Olah GA, Prakash GKS
7202 - 7227	Molecular mechanics (MM4) study of fluorinated hydrocarbons Chen KH, Lii JH, Walker GA, Xie YM, Schaefer HF, Allinger NL
7228 - 7231	Isomer stability of N6C6H6 cages Strout DL
7232 - 7236	Varying electronegativity of OH/O- groups depending on the nature and strength of H-bonding in phenol/phenolate involved in H-bond complexation Krygowski TM, Szatylowicz H
7237 - 7246	Butatrienes as extended alkenes: Barriers to internal rotation and substitution effects on the stabilities of the ground states and transition states Jarowski PD, Diederich F, Houk KN
7247 - 7252	Effect of dimerization and racemization processes on the electron density and the optical rotatory power of hydrogen peroxide derivatives Zborowski K, Alkorta I, Elguero J
7253 - 7261	Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: A combined Monte Carlo and quantum mechanics study Lima MCP, Coutinho K, Canuto S, Rocha WR
7262 - 7267	Reaction of ketenyl radical with acetylene: A promising route for cyclopropenyl radical Xie HB, Ding YH, Sun CC
7268 - 7271	Characterizing the potential energy surface of the water dimer with DFT: Failures of some popular functionals for hydrogen bonding Anderson JA, Tschumper GS
7272 - 7278	Mechanistic aspects of alloxan diabetogenic activity: A key role of keto-enol inversion of dialuric acid on ionization Czerwinska M, Sikora A, Szajerski P, Adamus J, Marcinek A, Gebicki J, Bednarek P
7279 - 7285	Geometric isotope effect of various intermolecular and intramolecular C-H center dot center dot center dot O hydrogen bonds, using the multicomponent molecular orbital method Udagawa T, Ishimoto T, Tokiwa H, Tachikawa M, Nagashima U
7286 - 7292	Mechanism of a four-phase liquid membrane oscillator containing hexadecyltrimethylammonium bromide Szpakowska M, Czaplicka I, Nagy OB
7293 - 7302	Time-resolved FT EPR and optical spectroscopy study on photooxidation of aliphatic alpha-amino acids in aqueous solutions; electron transfer from amino vs carboxylate functional group Tarabek P, Bonifacic M, Beckert D
7303 - 7306	Experimental vapor pressures of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imides and a correlation scheme for estimation of vaporization enthalpies of ionic liquids Zaitsau DH, Kabo GJ, Strechan AA, Paulechka YU, Tschersich A, Verevkin SP, Heintz A