Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.6 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

955 - 958	Comparative FTIR spectroscopy of HX adsorbed on solid water: Ragout-jet water clusters vs ice nanocrystal arrays Devlin JP, Farnik M, Suhm MA, Buch V
959 - 961	Structure of gas phase radical cation of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)] dodecane determined from zero kinetic energy photoelectron spectroscopy He YG, Wu CY, Kong W, Schultz KP, Nelsen SF
962 - 964	Probing centrifugal barriers in unimolecular dissociation of the allyl radical Castiglioni L, Bach A, Chen P
965 - 969	On the chemical and electrochemical one-electron reduction of peroxynitrous acid Kurz C, Zeng XQ, Hannemann S, Kissner R, Koppenol WH
970 - 975	Ultrafast photoinduced charge separation resulting from self-assembly of a green perylene-based dye into pi-stacked arrays Fuller MJ, Sinks LE, Rybtehinski B, Giaimo JM, Li XY, Wasielewski MR
976 - 980	Magnetic field dependence of electron spin polarization generated through radical-triplet interactions Stavitski E, Wagnert L, Levanon H
981 - 998	Water-catalyzed O-H Insertion/HI elimination reactions of isodihalomethanes (CH2X-I, where X = Cl, Br, I) with water and the dehalogenation of dihalomethanes in water-solvated environments Lin XF, Guan XG, Kwok WM, Zhao CY, Du Y, Li YL, Phillips DL
999 - 1007	Structure-optical property relationships in organometallic sydnones Cooper TM, Hall BC, McLean DG, Rogers JE, Burke AR, Turnbull K, Weisner A, Fratini A, Liu Y, Schanze KS
1008 - 1014	Laboratory intercomparison of the ozone absorption coefficients in the mid-infrared (10 mu m) and ultraviolet (300-350 nm) spectral regions Picquet-Varrault B, Orphal J, Doussin JF, Carlier P, Flaud JM
1015 - 1021	Effect of temperature and concentration on the structure of N-methylacetamide - Water complexes: Near-infrared spectroscopic study Czarnecki MA, Haufa KZ
1022 - 1025	Imaging the mode-selected predissociation of OCS+[(nu(1)nu(2)nu(3))(B)over-tilde(2)Sigma(+)] Chang CS, Luo CY, Liu K
1026 - 1032	Reactions of gold atoms and small clusters with CO: infrared spectroscopic and theoretical characterization of AunCO (n=1-5) and Au-n(CO)(2) (n=1, 2) in solid argon Jiang L, Xu Q
1033 - 1041	Absolute intensities of CH stretching overtones in alkenes Rong ZM, Henry BR, Robinson TW, Kjaergaard HG
1042 - 1048	Investigation of efflorescence of inorganic aerosols using fluorescence spectroscopy Choi MY, Chan CK
1049 - 1056	Gas-phase ion/molecule reactions in C5F8 Hiraoka K, Fujita K, Ishida M, Ichikawa T, Okada H, Hiizumi K, Wada A, Takao K, Yamabe S, Tsuchida N
1057 - 1062	Gas-phase interaction of H2S with O-2: A kinetic and quantum chemistry study of the potential energy surface Montoya A, Sendt K, Haynes BS
1063 - 1070	Shock wave study on the thermal unimolecular decomposition of allyl radicals Fernandes RX, Giri BR, Hippler H, Kachiani C, Striebel F
1071 - 1080	Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with nitric oxide Becerra R, Bowes SJ, Ogden JS, Cannady JP, Almond MJ, Walsh R
1081 - 1093	S-Oxygenation of thiocarbamides I: Oxidation of phenylthiourea by chlorite in acidic media Chigwada TR, Chikwana E, Simoyi RH
1094 - 1104	S-Oxygenation of thiocarbamides II: Oxidation of trimethylthiourea by chlorite and chlorine dioxide Chigwada TR, Simoyi RH
1105 - 1113	Electron-transfer oxidation of coenzyme B-12 model compounds and facile cleavage of the cobalt(IV) - Carbon bond via charge-transfer complexes with bases. A negative temperature dependence of the rates Ohkubo K, Fukuzumi S
1114 - 1124	Density functional theory predictions of isotropic hyperfine coupling constants Hermosilla L, Calle P, de la Vega JMG, Sieiro C
1125 - 1130	A theoretical study of nitrogen-rich phosphorus nitrides P(N-n)(m) Wang LJ, Warburton PL, Mezey PG
1131 - 1136	Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 and CCSD(T) levels Dabkowska I, Gonzalez HV, Jurecka P, Hobza P
1137 - 1145	Simulating vapor-liquid nucleation of water: A combined histogram-reweighting and aggregation-volume-bias Monte Carlo investigation for fixed-charge and polarizable models Chen B, Siepmann JI, Klein ML
1146 - 1151	An example where orbital relaxation is an important contribution to the Fukui function Bartolotti LJ, Ayers PW
1152 - 1158	The amide rotational barrier in isonicotinamide: Dynamic NMR and ab initio studies Leskowitz GM, Ghaderi N, Olsen RA, Pederson K, Hatcher ME, Mueller LJ
1159 - 1167	Theoretical study of hydrogen-bonded complexes of chlorophenols with water or ammonia: Correlations and predictions of pK(a) values Han J, Deming RL, Tao FM
1168 - 1179	Vibronic structure of the permanganate absorption spectrum from time-dependent density functional calculations Neugebauer J, Baerends EJ, Nooijen M
1180 - 1187	Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties Sefzik TH, Turco D, Iuliucci RJ, Facelli JC
1188 - 1195	A study by spectroelectrochemical FTIR and density functional theory calculations of the reversible complexing ability of an electroactive tetrathiafulvalene crown Wartelle C, Viruela PM, Viruela R, Orti E, Sauvage FX, Levillain E, Le Derf F, Salle M
1196 - 1204	Through-space and through-bond mixed charge transfer mechanisms on the hydrazine oxidation by cobalt(II) phthalocyanine in the gas phase Paredes-Garcia V, Cardenas-Jiron GI, Venegas-Yazigi D, Zagal JH, Paez M, Costamagna J
1205 - 1215	Excited-state mixed valence in a diphenyl hydrazine cation: Spectroscopic consequences of coupling and transition dipole moment orientation Lockard JV, Zink JI, Trieber DA, Konradsson AE, Weaver MN, Nelsen SF
1216 - 1222	Polyoxometalates in solution: Molecular dynamics simulations on the alpha-PW12O403- keggin anion in aqueous media Lopez X, Nieto-Draghi C, Bo C, Avalos JB, Poblet JM
1223 - 1229	Gauche effect in 1,2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion Goodman L, Gu HB, Pophristic V
1230 - 1239	The kinetics of addition and fragmentation in reversible addition fragmentation chain transfer polymerization: An ab initio study Coote ML
1240 - 1246	The fulvenediyls and related biradicals: Molecular and electronic structure Winkler M
1247 - 1256	Ultraviolet photolysis of CH2I2 in methanol: O-H insertion and HI elimination reactions to form a dimethoxymethane product Guan XG, Lin XF, Kwok WM, Du Y, Li YL, Zhao CY, Wang DQ, Phillips DL
1257 - 1259	Separation of sigma and pi energies Koster AM, Calaminici P, Geudtner G, Gomez-Sandoval Z
1260 - 1268	Spectroscopic and structural characterization of chlorine loading effects on Mo/Si : Ti catalysts in oxidative dehydrogenation of ethane Liu C, Ozkan US