Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.104, No.19 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (42 articles)

4339 - 4342	A determination of the bond dissociation energy (D-0(H-SH)): Threshold ion-pair production spectroscopy (TIPPS) of a triatomic molecule Shiell RC, Hu XK, Hu QJ, Hepburn JW
4343 - 4351	Geothermal vents and chemical processing: The infrared spectroscopy of hydrothermal reactions Brill TB
4352 - 4355	The OH product state distribution from the photodissociation of hexafluoroacetylacetone Yoon MC, Choi YS, Kim SK
4356 - 4363	Studies of double-layer effects at single-crystal gold electrodes. 1. The reduction kinetics of hexaamminecobalt(III) ion in aqueous solutions Hromadova M, Fawcett WR
4364 - 4373	Structural and vibrational assignment of p-methoxyphenethylamine conformers Unamuno I, Fernandez JA, Longarte A, Castano F
4374 - 4382	Electronic spectra of the cyclometalated complexes M(2-thienylpyridine)(2) with M = Pd, Pt: A theoretical study Pierloot K, Ceulemans A, Merchan M, Serrano-Andres L
4383 - 4393	Raman and infrared spectra, conformational stability, normal coordinate analysis, vibrational assignment, and ab initio calculations of 3,3-difluorobutene Guirgis GA, Zhu XD, Yu ZH, Durig JR
4394 - 4401	Reactions of Co, Ni, and Cu atoms with CS2: Infrared spectra and density-functional calculations of SMCS, M-(eta(2)-CS)S, M-CS2, and MCS2+ in solid argon Zhou MF, Andrews L
4402 - 4412	Electron spin-lattice relaxation measurement of the 3Fe-4S (S-3) cluster in succinate : ubiquinone reductase from Paracoccus denitrificans. A detailed analysis based on a dipole-dipole interaction model Hung SC, Grant CV, Peloquin JM, Waldeck AR, Britt RD, Chan SI
4413 - 4420	H-1 and N-15 dynamic nuclear polarization studies of carbazole Hu JZ, Solum MS, Wind RA, Nilsson BL, Peterson MA, Pugmire RJ, Grant DM
4421 - 4428	Microwave spectrum, conformational equilibrium, intramolecular hydrogen bonding, tunneling, and quantum chemical calculations for 1-ethenylcyclopropan-1-ol Leonov A, Marstokk KM, de Meijere A, Mollendahl H
4429 - 4432	Experimental observation of a very high second electron affinity for ZrF6 from photodetachment of gaseous ZrF62- doubly charged anions Wang XB, Wang LS
4433 - 4440	Effect of water density on hydrogen peroxide dissociation in supercritical water. 1. Reaction equilibrium Akiya N, Savage PE
4441 - 4448	Effect of water density on hydrogen peroxide dissociation in supercritical water. 2. Reaction kinetics Akiya N, Savage PE
4449 - 4457	Product identification and kinetics of reactions of HCl with HNO3/H2SO4/H2O solutions Cappa CD, Kuipers SE, Roberts JM, Gilbert AS, Elrod MJ
4458 - 4468	Multiple excited states in a two-state crossing model: Predicting barrier height evolution for H plus alkene addition reactions Clarke JS, Rypkema HA, Kroll JH, Donahue NM, Anderson JG
4469 - 4474	Solvent-solute interactions probed by picosecond time-resolved fluorescence spectroscopy: Lifetime and anisotropy study of S-1 trans-4,4'-diphenylstilbene Tan X, Gustafson TL
4475 - 4479	Ferrous ions as catalysts for photochemical reduction of CO2 in homogeneous solutions Grodkowski J, Neta P
4480 - 4488	Radiative association reactions of Na+, Mg+, and Al+ with abundant interstellar molecules. Variational transition state theory calculations Petrie S, Dunbar RC
4489 - 4496	Isomerization of propylene oxide. Quantum chemical calculations and kinetic modeling Dubnikova F, Lifshitz A
4497 - 4504	Application of the group additivity method to alkyl radicals: An ab initio study Marsi I, Viskolcz B, Seres L
4505 - 4513	Sequential mechanism of methane dehydrogenation over metal (Mo or W) oxide and carbide catalysts Zhou TJ, Liu AM, Mo YR, Zhang HB
4514 - 4520	Reactions between Li atoms and HX (X = F, Cl) molecules: Semiempirical SCF MO and matrix isolation ESR studies Kasai PH
4521 - 4532	Characterization of aromatic-amide(side- chain) interactions in proteins through systematic ab initio calculations and data mining analyses Duan G, Smith VH, Weaver DF
4533 - 4548	Free energetics of NaI contact and solvent-separated ion pairs in water clusters Peslherbe GH, Ladanyi BM, Hynes JT
4549 - 4552	Photoinduced hydrogen atom transfer of free-base porphin Nguyen KA, Pachter R
4553 - 4561	Electronic excitation spectrum of s-tetrazine: An extended-STEOM-CCSD study Nooijen M
4562 - 4570	Interaction potentials and vibrational effects in the acetylene dimer Shuler K, Dykstra CE
4571 - 4580	Ab initio molecular orbital calculations on NO+ center dot (H20)(n) cluster ions. Part I: Minimum-energy structures and possible routes to nitrous acid formation Hammam E, Lee EPF, Dyke JM
4581 - 4585	Heats of formation for CnFm, CnFm+, CHFm, and CHFm+ Bauschlicher CW, Ricca A
4586 - 4591	Theoretical analysis of P-31 NMR chemical shifts in vanadium phosphorus oxides Robert V, Petit S, Borshch SA, Bigot B
4592 - 4597	Interaction energies of hydrogen-bonded formamide dimer, formamidine dimer, and selected DNA base pairs obtained with large basis sets of atomic orbitals Sponer J, Hobza P
4598 - 4605	Phosphorus chemical shift tensors for tetramethyldiphosphine disulfide: A P-31 single-crystal NMR, dipolar-chemical shift NMR, and ab initio molecular orbital study Gee M, Wasylishen RE, Eichele K, Britten JF
4606 - 4608	Conformational flexibility of meso-tetrakis(perfluoroalkyl)porphyrins: Energetics of ruffling versus saddling Wondimagegn T, Ghosh A
4609 - 4617	Effects of the complexation by the Mg2+ cation on the stereochemistry of the sugar-diphosphate linkage. Ab initio modeling on nucleotide-sugars Andre I, Tvaroska I, Carver JP
4618 - 4628	Diatomic halogen anions and related three-electron-bonded anion radicals: Very contrasted performances of Moller-Plesset methods in symmetric vs dissymmetric cases Braida B, Hiberty PC
4629 - 4635	Dissociation of ozonide in water Bentley J, Collins JY, Chipman DM
4636 - 4647	Thermokinetic proton transfer and ab initio studies of the [2H,S,O](+) system. The proton affinity of HSO Decker BK, Adams NG, Babcock LM, Crawford TD, Schaefer HF
4648 - 4657	Evidence for two separate one-electron transfer events in excited fulleropyrrolidine dyads containing tetrathiafulvalene (TTF) Martin N, Sanchez L, Herranz MA, Guldi DM
4658 - 4669	Photochemistry of "super" photoacids. 2. Excited-state proton transfer in methanol/water mixtures Solntsev KM, Huppert D, Agmon N, Tolbert LM
4670 - 4670	An ab initio study of the kinetics of the reactions of halomethanes with the hydroxyl radical. I: CH2Br2 (vol 104A, pg 2933, 2000) Louis F, Gonzalez CA, Huie RE, Kurylo MJ
4670 - 4670	Dissociation of ozonide in Water (vol 104A, pg 4633, 2000) Bentley J, Collins JY, Chipman M