Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.50 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (77 articles)

10665 - 10669	Spectroscopic observation of ion-induced water dimer dissociation in the X-center dot(H2O)(2) (X = F, Cl, Br, I) clusters Ayotte P, Nielsen SB, Weddle GH, Johnson MA, Xantheas SS
10670 - 10673	A mechanical means to produce intense beams of slow molecules Gupta M, Herschbach D
10674 - 10690	Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: Role of Duschinsky effect Mebel AM, Hayashi M, Liang KK, Lin SH
10691 - 10698	Theoretical study of two-photon above threshold dissociation and related processes in Na-2(+) and Li-2(+) Magnier S, Persico M, Rahman N
10699 - 10707	Theory of the self-exchange electron transfer in the dioxygen/superoxide system in water German ED, Kuznetsov AM, Efremenko I, Sheintuch M
10708 - 10712	IR spectroscopy of hydrogen-bonded methanol: Vibrational and structural relaxation on the femtosecond time scale Laenen R, Gale GM, Lascoux N
10713 - 10718	Velocity of N-2 upon dissociation of N2O in N2O center dot(H2O)(m) Gandhi SR
10719 - 10729	Molecular dynamics study of dielectric properties of water-dimethyl sulfoxide mixtures Skaf MS
10730 - 10736	Subpicosecond ring opening of 7-dehydrocholesterol studied by ultrafast spectroscopy Anderson NA, Shiang JJ, Sension RJ
10737 - 10743	Investigation of the solvation dynamics of an organic dye in polar solvents using the femtosecond transient grating technique Gumy JC, Nicolet O, Vauthey E
10744 - 10748	Molecular dynamics study of water-acetonitrile mixtures Mountain RD
10749 - 10754	Novel information about vibrational relaxation in liquids using time-resolved stokes probing after picosecond IR excitation Seifert G, Zurl R, Graener H
10755 - 10763	Orientation-dependent electron transfer processes in fullerene-aniline dyads Thomas KG, Biju V, Guldi DM, Kamat PV, George MV
10764 - 10775	P-31 and Na-23 solid-state NMR studies of cation dynamics in HT-sodium orthophosphate and the solid solutions (Na2SO4)(x)-(Na3PO4)(1-x) Witschas M, Eckert H
10776 - 10782	Attack and recoil angle dependence of the Li+HF -> LiF+Hreaction at J=0 de Miranda MP, Crocchianti S, Lagana A
10783 - 10788	Temperature of multibubble sonoluminescence in water Didenko YT, McNamara WB, Suslick KS
10789 - 10797	Circular dichroic triplet-singlet difference spectroscopy. 1. Analysis of dichroic components in optically detected magnetic resonance Owen GM, Hoff AJ
10798 - 10804	Radical cation of 2,5-dimethyl-2,4-hexadiene: Resonance Raman spectrum and molecular orbital calculations Balakrishnan G, Offersgaard JF, Wilbrandt R
10805 - 10812	A more reliable absolute shielding scale for chlorine: Combined experimental and theoretical approach Gee M, Wasylishen RE, Laaksonen A
10813 - 10818	Isotopic studies, structure and modeling of the nitrous oxide-acetylene complex Peebles RA, Peebles SA, Kuczkowski RL, Leung HO
10819 - 10824	Photodecomposition of MnO4-: A theoretical study Gutsev GL, Rao BK, Jena P
10825 - 10832	Effects of finite rf pulses and sample spinning speed in multiple-quantum magic-angle spinning (MQ-MAS) and multiple-quantum quadrupolar Carr-Purcell-Meiboom-Gill magic-angle spinning (MQ-QCPMG-MAS) nuclear magnetic resonance of half-integer quadrupolar nuclei Larsen FH, Nielsen NC
10833 - 10841	Ultraviolet photoelectron spectroscopy of o-, m-, and p-halobenzyl anions Kim JB, Wenthold PG, Lineberger WC
10842 - 10845	Photophysical studies of 1,2-C70H2 Benedetto AF, Bachilo SM, Weisman RB, Nossal JR, Billups WE
10846 - 10850	Gas-phase reactions of nickel and nickel oxide clusters with nitrogen oxides. 3. Reactions of cations with nitric oxide Vann WD, Bell RC, Castleman AW
10851 - 10858	Raman spectroscopic study on acetic acid clusters in aqueous solutions: Dominance of acid-acid association producing microphases Nishi N, Nakabayashi T, Kosugi K
10859 - 10865	Stirring effect on bistability in a CSTR. 1. Experiments and simulations for the AsO33-/IO3- reaction Ali F, Strizhak P, Menzinger M
10866 - 10873	Stirring effect on bistability in a CSTR. 2. Theoretical analysis of the coalescence-redispersion model for one-variable systems Strizhak P, Ali F, Menzinger M
10874 - 10883	An ab initio investigation of the reactions of 1,1-and 1,2-dichloroethane with hydroxyl radical Chandra AK, Uchimaru T
10884 - 10892	Structure and reactivity studies of CoHNO+ in the gas phase Chen HP, Jacobson DB, Freiser BS
10893 - 10898	Kinetics and reaction mechanism of hydroxyl radical reaction with methyl formate Good DA, Hanson J, Francisco JS, Li ZJ, Jeong GR
10899 - 10906	Mass spectrometric measurement of the ionization energies and cross sections of uranium and plutonium oxide vapors Capone F, Colle Y, Hiernaut JP, Ronchi C
10907 - 10914	Mode specificity study in unimolecular dissociation of nonrotating H2O, DHO, and MuHO molecules Llanio-Trujillo JL, Marques JMC, Varandas AJC
10915 - 10920	Discovery of novel bromate-sulfite pH oscillators with Mn2+ or MnO4- as a negative-feedback species Okazaki N, Rabai G, Hanazaki I
10921 - 10934	The six-membered intramolecular hydrogen bond position as a switch for inducing an excited state intramolecular proton transfer (ESIPT) in esters of o-hydroxynaphthoic acids Catalan J, del Valle JC, Palomar J, Diaz C, de Paz JLG
10935 - 10944	Spectroscopic and kinetic study of the Cl-S(CH3)(2) adduct Urbanski SP, Wine PH
10945 - 10954	Experimental and theoretical study of the formation of silicon-carbon ion species in gaseous silane/ethene mixtures Antoniotti P, Canepa C, Operti L, Rabezzana R, Tonachini G, Vaglio GA
10955 - 10960	Intramolecular singlet and triplet energy transfer in a ruthenium(II) diimine complex containing multiple pyrenyl chromophores Tyson DS, Castellano FN
10961 - 10968	Theoretical studies of the substitution patterns in heterofullerenes C60-xNx and C60-xBx (x=2-8) Chen ZF, Zhao XZ, Tang AC
10969 - 10974	Bonding of NO2 to the Au atom and Au(111) surface: A quantum chemical study Lu X, Xu X, Wang NQ, Zhang Q
10975 - 10980	Small charged water clusters: Anions Novakovskaya YV, Stepanov NF
10981 - 10992	A theory of electron transfer and steady-state optical spectra of chromophores with varying electronic polarizability Matyushov DV, Voth GA
10993 - 10997	Searching the conformational space of cyclic molecules: A molecular mechanics and density functional theory study of 9-crown-3 Jagannadh B, Sarma JARP
10998 - 11003	A DFT/electron localization function (ELF) study of the bonding of phosphinidenes with N-heterocyclic carbenes Frison G, Sevin A
11004 - 11010	Stochastic dynamics in irreversible nonequilibrium environments. 3. Temperature-ramped chemical kinetics Somer FL, Hernandez R
11011 - 11019	Density functional and MP2 studies of germylene insertion into C-H, Si-H, N-H, P-H, O-H, S-H, F-H, and Cl-H bonds Su MD, Chu SY
11020 - 11025	Matrix-isolation FT-IR studies and theoretical calculations of different types of hydrogen-bonding: 2-hydroxypyridine/2-oxopyridine complexed with HCl Dkhissi A, Houben L, Ramaekers R, Adamowicz L, Maes G
11026 - 11033	Ab initio calculation of the heats of formation of nitrosamides: Comparison with nitramides Chen Z, Hamilton TP
11034 - 11039	Ab initio MO study of diverse Si3H3+ isomers Srinivas GN, Jemmis ED, Korkin AA, Schleyer PV
11040 - 11044	Ab initio study of unimolecular decomposition of nitroethylene Gindulyte A, Massa L, Huang LL, Karle J
11045 - 11051	Proposed mechanism of 1,1-diamino-dinitroethylene decomposition: A density functional theory study Gindulyte A, Massa L, Huang LL, Karle J
11052 - 11059	p-quinone dimers: H-bonding vs stacked interaction. Matrix-isolation infrared and ab initio study Plokhotnichenko AM, Radchenko ED, Stepanian SG, Adamowicz L
11060 - 11079	A smooth solvation potential based on the conductor-like screening model York DM, Karplus M
11080 - 11088	Potential energy surfaces for LiH2 and photochemical reactions Li*+H-2 <-> LiH+H Lee HS, Lee YS, Jeung GH
11089 - 11095	Photodissociation of N2O. I. Ab initio potential energy-surfaces for the low-lying electronic states (X)over-tilde (1)A ＇, 2 (1)A ＇, and 1 (1)A ＇＇ Brown A, Jimeno P, Balint-Kurti GG
11096 - 11103	First-principles calculations of pyridines: From monomer to polymer Vaschetto ME, Retamal BA, Monkman AP, Springborg M
11104 - 11108	Ab initio study of energetics of protonation and hydrogen bonding of pyridine N-oxide and its derivatives Makowski M, Liwo A, Wrobel R, Chmurzynski L
11109 - 11114	Thermochemistry of N3O2- Torchia JW, Sullivan KO, Sunderlin LS
11115 - 11120	Cu+ in liquid ammonia and in water: Intermolecular potential function and Monte Carlo simulation Pranowo HD, Setiaji AHB, Rode BM
11121 - 11125	Heats of formation for GeHn (n=1-4) and Ge2Hn (n=1-6) Ricca A, Bauschlicher CW
11126 - 11129	Heats of formation for POn and POnH (n=1-3) Bauschlicher CW
11130 - 11135	A density functional study of hyperfine coupling constants in steroid radicals Lahorte P, De Proft F, Callens F, Geerlings P, Mondelaers W
11136 - 11144	Photophysics and photochemistry of a lignin-like quinoid dimer, 4,4'-dimethoxybiphenyl-2,5,2',5'-bisquin in relation to color alteration of woody materials exposed to daylight Bearnais-Barbry S, Bonneau R, Castellan A
11145 - 11160	Intermolecular Coulombic decay of molecular clusters: Identification of the decay mechanism using a new hole-population analysis Zobeley J, Cederbaum LS, Tarantelli F
11161 - 11171	Fluorinated organosilicon cations: A comparison of potential energy surfaces for SiC2Xn+ where X is H or F and n=1, 3, and 5 Ketvirtis AE, Bohme DK, Hopkinson AC
11172 - 11180	Extended near-infrared resonance Raman investigations of an organic mixed-valence system: Diazatetracyclodiene radical cation Williams RD, Hupp JT, Ramm MT, Nelsen SF
11181 - 11187	Structure and properties of p-aminophenoxyl radical Chipman DM
11188 - 11193	Sandwich-type complexes of alkaline-earth metal cations with a bisstyryl dye containing two crown ether units Ushakov EN, Gromov SP, Fedorova OA, Pershina YV, Alfimov MV, Barigelletti F, Flamigni L, Balzani V
11194 - 11199	Ab initio calculations of absolute pK(a) values in aqueous solution I. Carboxylic acids da Silva CO, da Silva EC, Nascimento MAC
11200 - 11211	Diaminocarbenes; Calculation of barriers to rotation about C-carbene-N bonds, barriers to dimerization, proton affinities, and C-13 NMR shifts Alder RW, Blake ME, Oliva JM
11212 - 11220	Multielectron oxidation of anthracenes with a one-electron oxidant via water-accelerated electron-transfer disproportionation of the radical cations as the rate-determining step Fukuzumi S, Nakanishi I, Tanaka K
11221 - 11226	Polymerization mechanism of di(benzylidene)tetrathiapentalenes into linearly extended TTF polymers Hapiot P, Salhi F, Divisia-Blohorn B, Muller H
11227 - 11236	Photophysical and electron transfer properties of C-60(C6H5)(5)OH and C-60(C6H4F)(5)OH: A laser flash photolysis and pulse radiolysis study Palit DK, Mohan H, Birkett PR, Mittal JP
11237 - 11245	Asphaltene molecular size and structure Groenzin H, Mullins OC
11246 - 11249	HSAB analysis of charge transfer in the gas-phase acid-base equilibria of alkyl-substituted alcohols Perez P, Toro-Labbe A, Contreras R
11250 - 11251	Comment on "Supercritical fluid tuning of reactions rates: the cis-trans isomerization of 4-4'-disubstituted azobenzenes" Asano T, Takagi HD, Usui T
11252 - 11252	Reply to comment on "Supercritical fluid tuning of reaction rates: The cis-trans isomerization of 4-4'-disubstituted azobenzenes" Dillow AK, Brown JS, Liotta CL, Eckert CA