Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.45 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (63 articles)

8633 - 8636	Photoelectron spectroscopy of doubly charged anions : Intramolecular Coulomb repulsion and solvent stabilization Ding CF, Wang XB, Wang LS
8637 - 8640	Exploring insertion reaction dynamics : A case study of S(D-1)+D-2 -> SD+D Lee SH, Liu KP
8641 - 8647	Pressure and temperature effects on the hydrogen-bond structures of liquid and supercritical fluid methanol Bai S, Yonker CR
8648 - 8656	Dynamics of the ionization processes of benzene-H2O clusters : A direct ab initio dynamics study Tachikawa H, Igarashi M
8657 - 8663	Molecular mechanism for the radiationless deactivation of the intramolecular charge-transfer excited singlet state of aminofluorenones through hydrogen bonds with alcohols Yatsuhashi T, Nakajima Y, Shimada T, Tachibana H, Inoue H
8664 - 8672	Photochemical redox reactions of inner-sphere copper(II)-dicarboxylate complexes : Effects of the dicarboxylate ligand structure on copper(I) quantum yields Sun LH, Wu CH, Faust BC
8673 - 8678	Intramolecular proton transfer of glycine in aqueous solution using quantum mechanics-molecular mechanics simulations Tunon I, Silla E, Millot C, Martins-Costa MTC, Ruiz-Lopez MF
8679 - 8689	Singlet-singlet, triplet-triplet, and "optically-controlled" energy transfer in polychromophores. Preliminary models for a molecular scale shift register McGimpsey WG, Samaniego WN, Chen L, Wang F
8690 - 8694	Effect of ligand deuteration on the decay of EU3+(D-5(0)) in tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III) Schwendemann TC, May PS, Berry MT, Hou YQ, Meyers CY
8695 - 8707	Rotational state resolved differential cross sections for the reaction F+D-2 -> DF+D at collision energies 140-240 meV Faubel M, Martinez-Haya B, Rusin LY, Tappe U, Toennies JP, Aoiz FJ, Banares L
8708 - 8715	Classical trajectory study of the cis-trans isomerization and F-O dissociation of FONO Pena-Gallego A, Martinez-Nunez E, Vazquez SA
8716 - 8721	Photoinduced electron transfer from N,N-dimethylaniline to pyrrolidinofullerenes (C-60(C3H6N)R) : Emphasized substituent effects with solvent polarity change Luo CP, Fujitsuka M, Huang CH, Ito O
8722 - 8726	Molecular dynamics investigation of the nucleation barrier and prefactor in the freezing of (NaCl)(108) clusters Bartell LS, Huang JF
8727 - 8733	Methyl internal rotation of photoexcited chlorotoluene molecules Kojima H, Sakeda K, Suzuki T, Ichimura T
8734 - 8739	Raman spectroscopic studies of THF clathrate hydrate Tulk CA, Klug DD, Ripmeester JA
8740 - 8748	Fast time-resolved magnetic optical rotatory dispersion measurements. 1. Mueller analysis of optical and photoselection-induced artifacts Esquerra RM, Goldbeck RA, Kim-Shapiro DB, Kliger DS
8749 - 8758	Fast time-resolved magnetic optical rotatory dispersion measurements. 2. Confirmation of Mueller analysis and application to myoglobin ligand photolysis Esquerra RM, Goldbeck RA, Kim-Shapiro DB, Kliger DS
8759 - 8765	Photochemical insertion reaction of Hg in SiH4/SiD4 in low-temperature N-2, Ar, and Kr matrixes. Formation of radicals in Kr Legay-Sommaire N, Legay F
8766 - 8773	NMR chemical shifts. 1. The role of relative atomic orbital phase in determining the sign of the paramagnetic terms : ClF, CH3F, CH3NH3+, FNH3+, and HC CF Wiberg KB, Hammer JD, Zilm KW, Cheeseman JR, Keith TA
8774 - 8778	An experimental study of the gas-phase bond energies and structures of [c-C4H8S therefore c-SC4H8](+), [c-C5H10S therefore c-SC4H8](+), and [c-C5H10S therefore c-SC5H10](+) and of reactions of [c-C4H8S](+) and [c-C5H10S](+) Illies AJ
8779 - 8785	Alkali metal oxides, peroxides, and superoxides : A multinuclear MAS NMR study Krawietz TR, Murray DK, Haw JF
8786 - 8794	Conformational dependence of intramolecular vibrational energy redistribution in the ethylenic=CH2 stretch fundamental of allyl fluoride McWhorter DA, Pate BH
8795 - 8803	Elucidating intramolecular vibrational coupling mechanisms by microwave spectroscopy of single vibrationally mixed quantum states : Coriolis and conformer interactions in allyl fluoride McWhorter DA, Pate BH
8804 - 8811	Gas-phase reactions of nickel and nickel-rich oxide cluster anions with nitric oxide. 2. The addition of nitric oxide, oxidation of nickel clusters, and the formation of nitrogen oxide anions Vann WD, Wagner RL, Castleman AW
8812 - 8818	Volume change associated with large photoinduced dipole formation in a rigid donor-acceptor compound : New approach to optoacoustic volume determination Wegewijs B, Paddon-Row MN, Braslavsky SE
8819 - 8826	Application of the modified additivity rule to the calculation of electron-impact ionization cross sections of complex molecules Deutsch H, Becker K, Basner R, Schmidt M, Mark TD
8827 - 8835	Photodissociation of I-2(-)(OCS)(n) cluster ions : Structural implications Nandi S, Sanov A, Delaney N, Faeder J, Parson R, Lineberger WC
8836 - 8840	Infrared laser spectrum and structure of phosphoryl chloride (CIPO) formed at ambient temperature in the gas phase Bell IS, Hamilton PA, Davies PB
8841 - 8846	Laser-assisted reactivity of triethylgallium or trimethylgallium with ammonia in constrained pulsed nozzle expansions Demchuk A, Porter J, Koplitz B
8847 - 8854	Rapid evaporative cooling suppresses fragmentation in mass spectrometry : Synthesis of "Unprotonated" water cluster ions Jongma RT, Huang YH, Shi SM, Wodtke AM
8855 - 8859	Assessing the contribution of the lowest triplet state to the near-UV absorption spectrum of HOCl Barnes RJ, Sinha A, Michelsen HA
8860 - 8864	Temperatures of the maximum reaction rate and their relation to the equilibrium temperatures Sauar E, Ydstie E
8865 - 8870	Temperature dependence of radiative association rates Ryzhov V, Yang YC, Klippenstein SJ, Dunbar RC
8871 - 8880	Experimental and theoretical studies of the proton-hopping reaction of 7-hydroxyquinoline in viscous hydroxylic media Garcia-Ochoa I, Bisht PB, Sanchez F, Martinez-Ataz E, Santos L, Tripathi HB, Douhal A
8881 - 8887	Rate constants and product branching fractions for the reactions of H3O+ and NO+ with C-2-C-12 alkanes Arnold ST, Viggiano AA, Morris RA
8888 - 8893	High-pressure sonoelectrochemistry in aqueous solution : Soft cavitation under CO2 Goldfarb DL, Corti HR, Marken F, Compton RG
8894 - 8902	Femtosecond double proton-transfer dynamics in [2,2 ＇-bipyridyl]-3,3 ＇-diol in sol-gel glasses Prosposito P, Marks D, Zhang H, Glasbeek M
8903 - 8908	Determination of the hydroxy nitrate yields from the reaction of C-2-C-6 alkenes with OH in the presence of NO O'Brien JM, Czuba E, Hastie DR, Francisco JS, Shepson PB
8909 - 8912	Quantum dynamical rate constant for the H+O-3 reaction using a six-dimensional double many-body expansion potential energy surface revisited Szichman H, Baer M, Varandas AJC
8913 - 8923	Kinetics and mechanism of the reactions of 2,3-butadione with F and Cl atoms, UV absorption spectra of CH3C(O)C(O)CH2 center dot and CH3C(O)C(O)CH2O2 center dot radicals, and atmospheric fate of CH3C(O)C(O)CH2O center dot radicals Christensen LK, Sehested J, Nielsen OJ, Wallington TJ, Guschin A, Hurley MD
8924 - 8931	A new optical technique to study aerosol phase transitions : The nucleation of ice from H2SO4 aerosols Koop T, Ng HP, Molina LT, Molina MJ
8932 - 8940	Thermochemistry and kinetics of the reaction of 1-methylallyl radicals with molecular oxygen Knyazev VD, Slagle IR
8941 - 8945	Density functional investigation of various states of the molecules TcC, TcC2, ScC2, and YC2 Jackson P, Gadd GE, Mackey DW, van der Wall H, Willett GD
8946 - 8952	Binding of Na+, Mg+, and Al+ to the pi faces of naphthalene and indole : Ab initio mapping study Dunbar RC
8953 - 8963	Modern molecular mechanics and ab initio calculations on benzylic and cyclic delocalized cations Reindl B, Clark T, Schleyer PV
8964 - 8969	Ab initio study of energetics of X-H center dot center dot center dot pi (X = N, O, and C) interactions involving a heteroaromatic ring Samanta U, Chakrabarti P, Chandrasekhar J
8970 - 8973	Polarizabilities of the first excited (a(1)Delta(g)) and ground (X-3 Sigma(-)(g)) states of molecular oxygen Poulsen TD, Ogilby PR, Mikkelsen KV
8974 - 8978	Density functional studies of the n center dot a sigma charge-transfer complex between sulfur dioxide and chlorine monofluoride Garcia A, Elorza JM, Ugalde JM
8979 - 8987	Electronic spectra of phenylcyclopropane and cumene cation radicals : Interplay of experiment and theory Dinnocenzo JP, Merchan M, Roos BO, Shaik S, Zuilhof H
8988 - 9000	Sharing analysis of the behavior of electrons in some simple molecules Fulton RL, Perhacs P
9001 - 9020	Sharing of electrons in molecules : Characterization of hydrogen bonds Fulton RL, Perhacs P
9021 - 9030	Nitrile N-selenide (RC NSe) and isoselenocyanate (RN = C = Se) neutrals and radical cations by selenation of nitriles and isonitriles : Tandem mass spectrometry and ab initio studies Gerbaux P, Flammang R, Morkved EH, Wong MW, Wentrup C
9031 - 9039	Systematic errors in ab initio bond dissociation energies Irikura KK
9040 - 9046	Spectroscopy and thermodynamics of NaO+(X-3 Sigma(-)) : Relevance to atmospheric chemistry Soldan P, Lee EPF, Wright TG
9047 - 9055	Electronic states of In3Sb2, In2Sb3, and their positive ions Feng PY, Balasubramanian K
9056 - 9060	Computational investigations of iodine oxides Misra A, Marshall P
9061 - 9071	Reactions of laser-ablated niobium, tantalum, and rhenium atoms with nitrogen atoms and molecules. Infrared spectra and density functional calculations of the metal nitride and dinitride molecules Zhou MF, Andrews L
9072 - 9081	Electronic interactions in aryne biradicals. Ab initio calculations of the structures, thermochemical properties, and singlet-triplet splittings of the didehydronaphthalenes Squires RR, Cramer CJ
9082 - 9086	Interpretation of reaction and activation volumes in solution Schmidt R
9087 - 9090	Diffusion of disubstituted aromatic compounds in ethanol Chan TC, Chen N, Lu JG
9091 - 9094	Radical generation upon gamma-irradiation of two amorphous and two crystalline forms of water at 77 K Bednarek J, Plonka A, Hallbrucker A, Mayer E
9095 - 9098	Photooxidation of a conjugated diene by an exciplex mechanism : Amplification via radical chain reactions in the perylene diimide-photosensitized oxidation of alpha-terpinene Chen LH, Lucia LA, Gaillard ER, Whitten DG, Icil H, Icli S
9099 - 9100	Rotation matrices for real spherical harmonics. Direct determination by recursion (vol 100, pg 6342, 1996) Ivanic J, Ruedenberg K