Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.11 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

1895 - 1898	Integrated molecular orbital method with harmonic cap for molecular forces and its application to geometry optimization and the calculation of vibrational frequencies Corchado JC, Truhlar DG
1899 - 1902	Existence of a hydroperoxy and water (HO2 center dot H2O) radical complex Aloisio S, Francisco JS
1903 - 1905	Sudden approximation mass validity criteria values for accurate transition probabilities in two-mode collinear collisions Recker GJ, Pfeffer GA
1906 - 1911	Simulations of solvation dynamics using a nonlinear response approach van der Meulen P, Jonkman AM, Glasbeek M
1912 - 1917	Role of Renner Teller and spin-orbit interaction in the dynamics of the O(P-3)+CH2ICl reaction Gao X, Essex-Lopresti J, Munro S, Hall MP, Smith DJ, Grice R
1918 - 1926	Vibrational relaxation in liquid phenylacetylene. 1 Kolodziejski M, Waliszewska G, Abramczyk H
1927 - 1934	State selective predissociation spectroscopy of hydrogen bromide ions (HBr+) via the (2)Sigma(+)<-(2)Pi(i)(i=1/2, 3/2) transition Penno M, Holzwarth A, Weitzel KM
1935 - 1944	Vibrational-energy redistribution and vibronic coupling in 1-naphthol center dot water complexes Knochenmuss R, Karbach V, Wickleder C, Graf S, Leutwyler S
1945 - 1953	Excited states of 1,6-methano[10]annulene : Site selection fluorescence and fluorescence excitation spectroscopy on S-1 Catani L, Gellini C, Salvi PR
1954 - 1962	Reactions of lanthanide cations with methanol clusters Lu WY, Yang SH
1963 - 1964	Prediction of the reactive intermediates in alkane activation by tris(pyrazolyl borate)rhodium carbonyl Zaric S, Hall MB
1965 - 1972	Time-resolved O-3 chemical chain reaction kinetics via high-resolution IR laser absorption methods Kulcke A, Blackmon B, Chapman WB, Kim IK, Nesbitt DJ
1973 - 1975	Complex oscillations in the bromate oxalic acid acetone-manganese(II)-sulfuric acid reaction in batch Guedes MC, Faria RB
1976 - 1986	Atmospheric chemistry of CH2BrCl, CHBrCl2, CHBr2Cl, CF3CHBrCl, and CBr2Cl2 Bilde M, Wallington TJ, Ferronato C, Orlando JJ, Tyndall GS, Estupinan E, Haberkorn S
1987 - 1994	Gaseous [N2O5]H+, [N2O4]H+, and related species from the addition of NO2+ and NO+ ions to nitric acid and its derivatives Bernardi F, Cacace F, de Petris G, Pepi F, Rossi I
1995 - 2001	Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model Barone V, Cossi M
2002 - 2008	Theoretical study on X-H, -O, -OH, -NO, -ONO, and -NO2 (X = CH3, t-C4H9, C13H21) Thummel HT
2009 - 2015	Ab initio study of the potential energy surfaces for the reaction C+CH -> C-2+H Boggio-Pasqua M, Halvick P, Rayez MT, Rayez JC, Robbe JM
2016 - 2028	Conformations of stilbene-like species and new method of energy partition Yu ZH, Li LT, Fu W, Li LP
2029 - 2032	On the density functional relationship between static dipole polarizability and global softness Simon-Manso Y, Fuentealba P
2033 - 2043	Electronic structures of MoF6 and MoOF4 in the ground and excited states : A SAC-CI and frozen-orbital-analysis study Nakai H, Morita H, Tomasello P, Nakatsuji H
2044 - 2049	Unimolecular pyrolysis mechanisms of monothioformic and dithioformic acids. An ab initio study and evaluation of rate constant Huang JH, Han KL, Zhu RS, He GZ, Lou NQ
2050 - 2054	Theoretical calculation of proton affinities using basis set functions defined by the generator coordinate method Morgon NH
2055 - 2064	Molecular and electronic structures of (TiXH6)(0/-), X = B, Al, Ga, compounds Garcia A, Mercero JM, Fowler JE, Ugalde JM
2065 - 2071	Theoretical study of the solvent effect on triiodide ion in solutions Sato H, Hirata F, Myers AB
2072 - 2079	Structures, vibrational spectra, and relative energies of HBrO3 isomers Guha S, Francisco JS
2080 - 2086	Molecular structure of p-azoxyanisole, a mesogen, determined by gas-phase electron diffraction augmented by ab initio calculations Kuze N, Ebizuka M, Fujiwara H, Takeuchi H, Egawa T, Konaka S, Fogarasi G
2087 - 2090	Effect of formate concentration on radical formation in the radiolysis of aqueous methyl viologen solutions Chitose N, LaVerne JA, Katsumura Y