Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.104, No.32 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (38 articles)

7409 - 7419	Simulation of a liquid state photoinduced enol-keto tautomerization involving long-range proton transfer Geerlings JD, Varma CAGO, van Hemert MC
7420 - 7428	Water-ethanol mixtures at different compositions and temperatures. A dieletric relaxation study Petong P, Pottel R, Kaatze U
7429 - 7441	Role of hydrogen-bonded adducts in excited-state proton-transfer processes Penedo JC, Mosquera M, Rodriguez-Prieto F
7442 - 7451	The electronic spectroscopy of 2,2'-binaphthyl in solution, cryogenic matrix and supersonic jet Del Riccio JL, Zhang FT, Lacey AR, Kable SH
7452 - 7463	Mechanisms of solvent shifts, pressure shifts, and inhomogeneous broadening of the optical spectra of dyes in liquids and low-temperature glasses Renge I
7464 - 7468	A hole-burning study of the zero-field splitting of the triplet ground and excited states of 2,2-dinaphthylcarbene in n-heptane and n-hexane at 1.7 K Kozankiewicz B, Aloshyna M, Orrit M, Tamarat P, Gudmundsdottir AD, Platz MS
7469 - 7472	Hydrogen bonds and hydrogen-bonded chains in complexes of 3-(hydroxymethyl)-2,2'-biphenol with N-bases. FTIR and H-1 NMR studies Wojciechowski G, Schroeder G, Zundel G, Brzezinski B
7473 - 7483	Colors of Ag+-exchanged zeolite A Seifert R, Rytz R, Calzaferri G
7484 - 7491	Electronic absorption spectra of neutral pentacene (C22H14) and its positive and negative ions in Ne, Ar, and Kr matrices Halasinski TM, Hudgins DM, Salama F, Allamandola LJ, Bally T
7492 - 7501	Stepwise and concerted pathways in thermal and photoinduced electron-transfer/bond-breaking reactions Costentin C, Robert M, Saveant JM
7502 - 7510	Uptake of gas-phase SO2, H2S, and CO2 by aqueous solutions Boniface J, Shi Q, Li YQ, Cheung JL, Rattigan OV, Davidovits P, Worsnop DR, Jayne JT, Kolb CE
7511 - 7517	Molecular orbital model for ion polar-molecule capture collisions Xu M, Dillon S, Kimel JD, Dougherty RC
7518 - 7524	Kinetic study of the external heavy-atom quenching of fluorescence in liquid solution under high pressure Okamoto M
7525 - 7536	A theoretical analysis of the reaction between vinyl and acetylene: Quantum chemistry and solution of the master equation Miller JA, Klippenstein SJ, Robertson SH
7537 - 7544	Reaction-path dynamics calculations of the NH3+O(P-3) hydrogen abstraction reaction Espinosa-Garcia J
7545 - 7548	Determination of the second-order rate constant for the reduction of dopamine quinone with ascorbic acid Sopchak D, Miller B
7549 - 7555	In-phase synchronization of chemical and mechanical oscillations in self-oscillating gels Yoshida R, Tanaka M, Onodera S, Yamaguchi T, Kokufuta E
7556 - 7564	Cavity ring-down spectroscopy and relative rate study of reactions of HCO radicals with O-2, NO, NO2, and Cl-2 at 295 K Ninomiya Y, Goto M, Hashimoto S, Kagawa Y, Yoshizawa K, Kawasaki M, Wallington TJ, Hurley MD
7565 - 7573	Heterogeneous interaction of SO2 on H2O2-ice films at 190-210 K Chu L, Diao GW, Chu LT
7574 - 7579	Reactivity of gaseous XeF+ ions with acetonitrile. A joint mass spectrometric and theoretical study of isomeric C2H3NF+ and C2H3NXe+ cations Attina M, Cacace F, Cartoni A, Rosi M
7580 - 7585	Ab initio gas-phase acidities of NaH, MgH2, and AlH3 Hinde RJ
7586 - 7592	Ab initio topological analysis of the electronic density in proponium cations Okulik N, Peruchena N, Esteves PM, Mota C, Jubert AH
7593 - 7599	The nature of tunnel splitting mediated by stacked aromatics Lee MK, Shephard MJ, Risser SM, Priyadarshy S, Paddon-Row MN, Beratan DN
7600 - 7611	Heats of formation of hydrofluorocarbons obtained by Gaussian-3 and related quantum chemical computations Haworth NL, Smith MH, Bacskay GB, Mackie JC
7612 - 7616	A conformational study of the alpha-L-aspartate-containing dipeptide Aleman C
7617 - 7624	Structures and bonding in silane derivatives with one alkali atom Pacios LF, Galvez O, Gomez PC
7625 - 7628	Origin of the inversion of the acidity order for haloacetic acids on going from the gas phase to solution Wiberg KB, Clifford S, Jorgensen WL, Frisch MJ
7629 - 7634	A magnetic resonance study of complex formation between the neutral phenalenyl radical and alkali metal ions in dilute alcohol solutions Dwyer DW, Ciraolo MF, Gilbert DC, Doetschman DC
7635 - 7638	The electron localization function signature of the amide bond exhibits nitrogen lone pair character Chesnut DB
7639 - 7645	Intermolecular reactivity trends using the concept of group softness Krishnamurty S, Pal S
7646 - 7650	Theoretical study on the reaction mechanism of CO2 with Mg Hwang DY, Mebel AM
7651 - 7658	Energetics of Br-H-Br- formation from HBr dimer anion: An ab initio study Rank A, Armstrong DA
7659 - 7671	M3+ lanthanide cation solvation by acetonitrile: The role of cation size, counterions, and polarization effects investigated by molecular dynamics and quantum mechanical simulations Baaden M, Berny F, Madic C, Wipff G
7672 - 7678	Energy barriers for alkaline hydrolysis of carboxylic acid esters in aqueous solution by reaction field calculations Zhan CG, Landry DW, Ornstein RL
7679 - 7688	Molecular geometries at sixth order Moller-Plesset perturbation theory. At what order does MP theory give exact geometries? He Y, Cremer D
7689 - 7694	Gas-phase molecular structure of corannulene, C20H10. An electron-diffraction study augmented by ab initio and normal coordinate calculations Hedberg L, Hedberg K, Cheng PC, Scott LT
7695 - 7699	Bifurcation structure in the hydrogen peroxide-sulfite system Hanazaki I, Ishibashi N, Mori H, Tanimoto Y
7700 - 7710	Dipolar-chemical shift and rotational resonance C-13 NMR studies of the carboxyl-methylene carbon spin pair in solid phenylacetic acid and potassium hydrogen bisphenylacetate Bryce DL, Wasylishen RE