Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.35 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (30 articles)

6883 - 6886	H-1 NMR monitoring of water behavior during the Bray-Liebhafsky oscillatory reaction Stanisavljev D, Begovic N, Zujovic Z, Vucelic D, Bacic G
6887 - 6891	Influence of heavy water on the Bray-Liebhafsky oscillating reaction Stanisavljev D, Begovic N, Vukojevic V
6892 - 6897	The 1,4-cyclohexanedione-bromate-acid oscillatory system. 3. Detailed mechanism Szalai I, Koros E
6898 - 6903	Photochemistry and photophysics of 1-azaxanthone in organic solvents Scaiano JC, Weldon D, Pliva CN, Martinez LJ
6904 - 6909	The rovibrational spectrum and structure of the weakly bound CO2-CS2 complex Dutton CC, Dows DA, Eikey R, Evans S, Beaudet RA
6910 - 6915	Nuclear motions of an inclusion complex of calix[4]arene Paci B, Deleuze MS, Caciuffo R, Tomkinson J, Ugozzoli F, Zerbetto F
6916 - 6920	How is the fluoride ion bound to O-2, N-2, and CO molecules? Hiraoka K, Nasu M, Katsuragawa J, Sugiyama T, Ignacio EW, Yamabe S
6921 - 6926	Uracil dimer : Potential energy and free energy surfaces. Ab initio beyond Hartree-Fock and empirical potential studies Kratochvil M, Engkvist O, Sponer J, Jungwirth P, Hobza P
6927 - 6934	Chemical bubble dynamics and quantitative sonochemistry Colussi AJ, Weavers LK, Hoffmann MR
6935 - 6941	Quasiclassical trajectory study of the environmental reaction O+HO2 -> OH+O-2 Wang W, Gonzalez-Jonte R, Varandas AJC
6942 - 6949	Elimination of ethylene from metastable isomeric silylenium ions in the gas phase : Experiment and theory Willard BB, Graul ST
6950 - 6956	Performance of density functional theory on the potential-energy surface of the H+OCS system Rice BM, Pai SV, Chabalowski CF
6957 - 6966	Detailed investigation of the femtosecond pump-probe spectroscopy of the hydrated electron Yokoyama K, Silva C, Son DH, Walhout PK, Barbara PF
6967 - 6972	Ab initio molecular orbital study of TiH2O and TiH3OH Kudo T, Gordon MS
6973 - 6980	A theoretical and experimental study of the CN+NO association reaction Klippenstein SJ, Yang DL, Yu T, Kristyan S, Lin MC, Robertson SH
6981 - 6992	Investigation of the CH3CN-CO2 potential energy surface using symmetry-adapted perturbation theory Williams HL, Rice BM, Chabalowski CF
6993 - 7000	Comparative ab initio treatment (Hartree-Fock, density functional theory, MP2, and quadratic configuration interactions) of the cycloaddition of phosphorus ylides with formaldehyde in the gas phase Restrepo-Cossio AA, Gonzalez CA, Mari F
7001 - 7005	Hydrogen bonding in molecules with more than one proton acceptor site : HOF, HNO, H2NF, and H2NOH Peters NJS
7006 - 7012	Aluminum(III) interactions with the acidic amino acid chains Mercero JM, Fowler JE, Ugalde JM
7013 - 7028	Solvation effects on kinetics of methylene chloride reactions in sub- and supercritical water : Theory, experiment, and ab initio calculations Marrone PA, Arias TA, Peters WA, Tester JW
7029 - 7034	Crossover to an even-parity lowest excited singlet in large oligorylenes : A theoretical study Karabunarliev S, Baumgarten M, Mullen K
7035 - 7040	Site of protonation in aniline and substituted anilines in the gas phase : A study via the local hard and soft acids and bases concept Roy RK, de Proft F, Geerlings P
7041 - 7052	Lengthening of the covalent X-H bond in heteronuclear hydrogen bonds quantified from organic and organometallic neutron crystal structures Steiner T
7053 - 7059	Heats of formation of simple boron compounds Feller D, Dixon DA, Peterson KA
7060 - 7064	Structure and conformational composition of chloromethyl chloroformate : An electron-diffraction and ab initio molecular orbital investigation Hagen K, Naumov V
7065 - 7069	A direct ab initio dynamics study on the finite temperature effects on the hyperfine coupling constant of a weakly bonded complex Tachikawa H
7070 - 7073	Comparative G2(MP2) study of H3NBX3 and H3PBX3 (X = H, F, and Cl) donor-acceptor complexes Anane H, Boutalib A, Nebot-Gil I, Tomas F
7074 - 7080	Thermochemistry of CH3CN, CH3NC, and their cyclic isomers and related radicals, cations, and anions : Some curious discrepancies between theory and experiment Mayer PM, Taylor MS, Wong MW, Radom L
7081 - 7085	Reduction potentials of naphthoxyl and pyridoxyl radicals in aqueous solutions Das TN, Neta P
7086 - 7087	Comment on "Heats of formation of alkyl fluorides" Smith DW