Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.43 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (47 articles)

10049 - 10062	Photodissociation of hydrogen halide molecules in different cluster environments Buck U
10063 - 10071	Irradiated guanine: A Car-Parrinello molecular dynamics study of dehydrogenation in the presence of an OH radical Mundy CJ, Colvin ME, Quong AA
10072 - 10078	Laser-initiated chemical reactions in carbon suspensions McGrath TE, Diebold GJ, Bartels DM, Crowell RA
10079 - 10088	Photoinduced energy and electron transfer in a giant zinc porphyrin-bridge-C-60 system Bell TDM, Ghiggino KP, Jolliffe KA, Ranasinghe MG, Langford SJ, Shephard MJ, Paddon-Row MN
10089 - 10095	Radiationless deactivation process of 1-dimethylamino-9-fluorenone induced by conformational relaxation in the excited state: A new model molecule for the TICT process Morimoto A, Biczok L, Yatsuhashi T, Shimada T, Baba S, Tachibana H, Tryk DA, Inoue H
10096 - 10107	Anisotropic B-11 and C-13 NMR interaction tensors in decamethylcyclopentadienyl boron complexes Schurko RW, Hung I, Schauff S, Macdonald CLB, Cowley AH
10108 - 10115	Photophysical characterization of a series of platinum(II)-containing phenyl-ethynyl oligomers Rogers JE, Cooper TM, Fleitz PA, Glass DJ, McLean DG
10116 - 10123	Torsion energy profiles and force fields derived from ab initio calculations for simulations of hydrocarbon-fluorocarbon diblocks and perfluoroalkylbromides Padua AAH
10124 - 10129	Direct observation of weak hydrogen bonds in microsolvated phenol: Infrared spectroscopy of OH stretching vibrations of Phenol-CO and -CO2 in S-0 and D-0 Fujii A, Ebata T, Mikami N
10130 - 10138	Ab initio calculations on PO2 and anharmonic Franck-Condon simulations of its single-vibrational-level emission spectra Lee EPF, Mok DKW, Dyke JM, Chau FT
10139 - 10143	Modeling metastable ion time-of-flight peaks Ponciano CR, da Silveira EF
10144 - 10151	Vibrational dynamics of the neutral naphthalene molecule from a tight-binding approach Van-Oanh NT, Parneix P, Brechignac P
10152 - 10161	Noncoincidence effect of vibrational bands of methanol/CCl4 mixtures and its relation with concentration-dependent liquid structures Musso M, Torii H, Ottaviani P, Asenbaum A, Giorgini MG
10162 - 10173	High-temperature Raman investigation of concentrated sulfuric acid mixtures: Measurement of H-bond Delta H values between H3O+ or H5O2+ and HSO4- Walrafen GE, Yang WH, Chu YC
10174 - 10183	Predissociation of HCN/DCN in two lowest-lying singlet excited states: Effect of Fermi resonances on spectra and dynamics Xu DG, Xie DQ, Guo H
10184 - 10194	Transient and stable silver clusters induced by radiolysis in methanol Mostafavi M, Dey GR, Francois L, Belloni J
10195 - 10199	Photochemistry of bromine-containing fluorinated alkenes: Reactivity toward OH and UV spectra Orkin VL, Louis F, Huie RE, Kurylo MJ
10200 - 10204	Electron attachment and detachment: Cyclooctatetraene Miller TM, Viggiano AA, Miller AES
10205 - 10221	Signal processing by simple chemical systems Samoilov M, Arkin A, Ross J
10222 - 10230	Picosecond dynamics of the photoreduction of 4,4'-bipyridine by 1,4-diazabicyclo[2.2.2] octane in water Boilet L, Buntinx G, Lefumeux C, Poizat O
10231 - 10237	Experimental and theoretical studies of the rate coefficients of the reaction O(P-3)+HCl at high temperatures Hsiao CC, Lee YP, Wang NS, Wang JH, Lin MC
10238 - 10246	Laboratory evidence for surface nucleation of solid polar stratospheric cloud particles Tabazadeh A, Djikaev YS, Hamill P, Reiss H
10247 - 10253	Thermodynamic conditions for the surface-stimulated crystallization of atmospheric droplets Djikaev YS, Tabazadeh A, Hamill P, Reiss H
10254 - 10260	Photoinduced electron transfer between C-60-pendant calixarene and captured electron donor: Improvement of electron-transfer efficiency by applying host-guest chemistry Konishi T, Ikeda A, Kishida T, Rasmussen BS, Fujitsuka M, Ito O, Shinkai S
10261 - 10274	Generation, reactions, and kinetics of di(naphthyl)carbenes: Effects of the methyl group Koshiyama T, Hirai K, Tomioka H
10275 - 10284	Phase diagram of the nitric acid/water system: Implications for polar stratospheric clouds Beyer KD, Hansen AR
10285 - 10293	Analysis of absorption spectra of zinc porphyrin, zinc meso-tetraphenylporphyrin, and halogenated derivatives Nguyen KA, Day PN, Pachter R, Tretiak S, Chernyak V, Mukamel S
10294 - 10301	An experimental and computational study of solvent effects in toluene chlorination Zhang M, Lund CRF
10302 - 10310	Ab initio study of the mechanism and thermochemistry of the atmospheric reaction NO+O-3-NO2+O-2 Peiro-Garcia J, Nebot-Gil I
10311 - 10325	A density functional theory approach to the development of Q-e parameters for the prediction of reactivity in free-radical copolymerizations Zhan CG, Dixon DA
10326 - 10341	A model potential approach to charge resonance phenomena in aromatic cluster ions Bouvier B, Brenner V, Millie P, Soudan JM
10342 - 10349	Predicting the phase diagram of a liquid crystal using the convex peg model and the semiempirical PM3 method Garcia-Sanchez E, Martinez-Richa A, Villegas-Gasca JA, Mendoza-Huizar LH, Gil-Villegas A
10350 - 10362	Experimental and theoretical dissection of sodium cation/glycine interactions Moision RM, Armentrout PB
10363 - 10369	Quantum chemical calculations of cadmium chemical shifts in inorganic complexes Kidambi S, Ramamoorthy A
10370 - 10373	New criterion on the aromaticity of six-membered rings Sakai S
10374 - 10379	A spin polarization transfer approach to intermolecular interactions between hydrocarbon aromatic compounds and free radicals Lozsan A, Nieto P, Acevedo S, Mujica V
10380 - 10390	Response properties of furan homologues by time-dependent density functional theory Hieringer W, van Gisbergen SJA, Baerends EJ
10391 - 10395	Theoretical study of the potential energy surfaces of nitrogen-rich ion N4H2F+ Wang LJ, Mezey PG
10396 - 10407	Toward Hartree-Fock- and density functional complete basis-set-predicted NMR parameters Kupka T, Ruscic B, Botto RE
10408 - 10414	SiC2P: A promising molecule with two stable cyclic isomers Chen GH, Ding YH, Huang XR, Zhang HX, Li ZS, Sun CC
10415 - 10422	Water-assisted isomerization from linear propargylium (H2CCCH+) to cyclopropenylium (c-C3H3+) Liu GX, Li ZS, Ding YH, Fu Q, Huang XR, Sun CC, Tang AC
10423 - 10436	Density functional molecular study on the full conformational space of the S-4-(2-hydroxypropoxy)carbazol fragment of carvedilol (1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol) in vacuum and in different solvent media Almeida DRP, Pisterzi LF, Chass GA, Torday LL, Varro A, Papp JG, Csizmadia MG
10437 - 10443	Reinvestigation of the gas-phase structure of RDX using density functional theory predictions of electron-scattering intensities Vladimiroff T, Rice BM
10444 - 10451	Computational study of the effect of the imidazole ring orientation on the EPR parameters for vanadyl-imidazole complexes Saladino AC, Larsen SC
10452 - 10460	An IR study of hydrogen bonding in liquid and supercritical alcohols Barlow SJ, Bondarenko GV, Gorbaty YE, Yamaguchi T, Poliakoff M
10461 - 10469	Measurement of the dimerization equilibrium constants of enantiomers Baciocchi R, Zeroni G, Valentini M, Mazzotti M, Morbidelli M
10470 - 10476	The formation of the neutral isomers NCCCCO and CCC(O)CN in the gas phase from ionic precursors: a joint experimental and theoretical study Dua S, Peppe S, Bowie JH