Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.17 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

2739 - 2748	Theoretical study of solvent effects on the intramolecular charge transfer of a hemicyanine dye Cao X, Tolbert RW, McHale JL, Edwards WD
2749 - 2758	Molecular dynamics simulation of a double-helical beta-carrageenan hexamer fragment in water Ueda K, Imamura A, Brady JW
2759 - 2766	Femtosecond chirped pulse excitation of vibrational wave packets in LD690 and bacteriorhodopsin Bardeen CJ, Wang Q, Shank CV
2767 - 2777	Dynamics of complex phthalate liquids. 1. Structural effects of molecular framework Kim YJ, Jonas J
2778 - 2784	Dynamics of complex phthalate liquids. 2. Structural effects of side chains Kim YJ, Jonas J
2785 - 2791	Structure and dynamics of Cl and Br ions and atoms in Xe clusters Zeiri Y
2792 - 2797	High resolution infrared spectroscopy of the CO2-Br-2 weakly bound complex Sazonov A, Beaudet RA
2798 - 2807	Characterization of photoinduced electron transfer in jet-formed acceptor-donor complexes. 1. Isomeric forms of complexes of anthracene with aniline derivatives Tramer A, Brenner V, Millie P, Piuzzi F
2808 - 2816	Characterization of photoinduced electron transfer in jet-formed acceptor donor complexes. 2. Photoinduced electron transfer : Rates and mechanisms Tramer A, Brenner V, Millie P, Piuzzi F
2817 - 2823	Solvatochromic shifts : A reconsideration Lombardi JR
2824 - 2832	Graph theoretical generation and analysis of hydrogen-bonded structures with applications to the neutral and protonated water cube and dodecahedral clusters McDonald S, Ojamae L, Singer SJ
2833 - 2837	La-2@C-72 : Metal-mediated stabilization of a carbon cage Stevenson S, Burbank P, Harich K, Sun Z, Dorn HC, van Loosdrecht PHM, deVries MS, Salem JR, Kiang CH, Johnson RD, Bethune DS
2838 - 2841	Kinetics of acid-catalyzed hydrolysis of a polyphosphate in water de Jager HJ, Heyns AM
2842 - 2846	Temperature effect on selective tunneling abstraction reaction by H atoms in neopentane-alkane mixtures at 4-100 K Kamagai J, Kumada T, Kitagawa N, Morishita N, Miyazaki T
2847 - 2856	Electron tunneling in quasi-one-dimensional resonant molecular systems. Ab initio study Heifets EN, Daizadeh I, Guo JX, Stuchebrukhov AA
2857 - 2864	Ultraviolet-visible absorption cross sections of gaseous HOI and its photolysis at 355 nm Bauer D, Ingham T, Carl SA, Moortgat GK, Crowley JN
2865 - 2869	First demonstration of selective triplet quenching in the radical-triplet pair mechanism (RTPM) of chemically induced dynamic electron polarization (CIDEP) He GL, Chen CP, Yang JL, Xu GZ
2870 - 2877	Cobalt porphyrin catalyzed reduction of CO2. Radiation chemical, photochemical, and electrochemical studies Behar D, Dhanasekaran T, Neta P, Hosten CM, Ejeh D, Hambright P, Fujita E
2878 - 2887	Theoretical study of intramolecular long-range electron transfer reactions between porphyrin and benzoquinone : Ab initio calculations of electronic coupling element Hayashi S, Kato S
2888 - 2892	Site of protonation of alkyl- and arylhydrazines probed by N-14, N-15, and C-13 NMR relaxation and quantum chemical calculations Bagno A, Menna E, Mezzina E, Scorrano G, Spinelli D
2893 - 2898	A density functional study of the addition of water to SO3 in the gas phase and in aqueous solution Meijer EJ, Sprik M
2899 - 2903	Hydrogen bonding and density functional calculations : The B3LYP approach as the shortest way to MP2 results Lozynski M, Rusinska-Roszak D, Mack HG
2904 - 2918	Diffusion equation and distance scaling methods of global optimization : Applications to crystal structure prediction Wawak RJ, Pillardy J, Liwo A, Gibson KD, Scheraga HA
2919 - 2933	Correlation analysis of chemical bonds Yamasaki T, Goddard WA
2934 - 2943	Electronic structures of 9,10-anthrylene dimers and trimers in solution : Formation of charge separation states depending on alkyl substituent groups Nishiyama K, Honda T, Reis H, Muller U, Mullen K, Baumann W, Okada T
2944 - 2953	Trimethyl phosphate-water interaction : A matrix-isolation infrared and ab initio study Sankaran K, Vidya V, Viswanathan KS, George L, Singh S
2954 - 2961	High level and dual level direct dynamics in the intramolecular proton transfer of hydrogenoxalate anion. Influence of tunneling and isotopic effect Fernandez-Ramos A, Rodriguez-Otero J, Rios MA
2962 - 2966	Modeling nonlinear optical properties of transition metal complexes. Basis set, effective core potential, and geometry effects Cundari TR, Kurtz HA, Zhou T
2967 - 2975	On the radiation chemical kinetics of the precursor to the hydrated electron Pimblott SM, LaVerne JA
2976 - 2980	Dissociation of ionized 1,2-ethanediol and 1,2-propanediol : Proton-transport catalysis with electron transfer Ruttink PJA, Burgers PC, Fell LM, Terlouw JK
2981 - 2987	Methyl cation affinity vs proton affinity in substituted benzenes : An ab initio study Maksic ZB, Eckert-Maksic M, Knezevic A
2988 - 2994	Proton affinity and gas-phase basicity of urea Wang F, Ma SG, Zhang DX, Cooks RG