Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (55 articles)

8141 - 8144	Shock tube kinetic study for the reaction of H atoms with SO2: Comparison between experiments and theory Murakami Y, Onishi S, Fujii N
8145 - 8146	Electronic structure and bonding in rhodium monophosphide Li RH, Balfour WJ
8147 - 8150	Transient absorption spectra and lifetimes of benzophenone ketyl radicals in the excited state Sakamoto M, Cai XC, Hara M, Tojo S, Fujitsuka M, Majima T
8151 - 8159	Dynamics of intermolecular hydrogen bonds in the excited states of 4'-dialkylamino-3-hydroxyflavones. On the pathway to an ideal fluorescent hydrogen bonding sensor Shynkar VV, Klymchenko AS, Piemont E, Demchenko AP, Mely Y
8160 - 8169	Biomolecular springs: Low-frequency collective helical vibrations of Ace-Gly(n)-NHMe (n=3-8). A DFT study employing the PW91(XC) functional Papamokos GV, Demetropoulos IN
8170 - 8179	Electronic and structural evidences for charge transfer and localization in iodine-doped pentacene Brinkmann M, Videva VS, Bieber A, Andre JJ, Turek P, Zuppiroli L, Bugnon P, Schaer M, Nuesch F, Humphry-Baker R
8180 - 8189	Identifiability of the model of the intermolecular excited-state proton exchange reaction in the presence of pH buffer Boens N, Basaric N, Novikov E, Crovetto L, Orte A, Talavera EM, Alvarez-Pez JM
8190 - 8200	Fluorescence quenching in electron-donating solvents. 2. Solvent dependence and product dynamics Morandeira A, Furstenberg A, Vauthey E
8201 - 8211	Photoinduced multistep electron transfer in an oligoaniline-oligo(p-phenylene vinylene)-perylene diimide molecular array Ramos AM, Beckers EHA, Offermans T, Meskers SCJ, Janssen RAJ
8212 - 8222	Protolytic photodissociation and proton-induced quenching of 1-naphthol and 2-octadecyl-1-naphthol in micelles Solntsev KM, Al-Ainain SA, Il'ichev YV, Kuzmin MG
8223 - 8228	Study of charge transfer interactions of a resorcin[4]arene with [60]-and [70]fullerenes by the absorption spectrometric method Saha A, Nayak SK, Chattopadhyay S, Mukherjee AK
8229 - 8236	Optical spectroscopy of long polyenes Christensen RL, Faksh A, Meyers JA, Samuel IDW, Wood P, Schrock RR, Hultzsch KC
8237 - 8243	Gas phase rotamers of the nucleobase 9-methylguanine enol and its monohydrate: Optical spectroscopy and quantum mechanical calculations Chin W, Mons M, Piuzzi F, Tardivel B, Dimicoli I, Gorb L, Leszczynski J
8244 - 8255	Synthesis, optical absorption, and site-selective excitation of the P-3(0) levels in Y4Al2O9 : Pr3+ Rabinovitch Y, Moune OK, Tetard D, Faucher MD
8256 - 8263	Matrix-isolation FTIR spectroscopy of benzil: Probing the flexibility of the C-C torsional coordinate Lopes S, Gomez-Zavaglia A, Lapinski L, Chattopadhyay N, Fausto R
8264 - 8268	Infrared spectra of (CS2)(2)(-) anion in solid neon and argon Yu LA, Zeng AH, Xu QA, Zhou MF
8269 - 8272	Binding energy of the benzene-water cluster cation: An Ar-mediated IR photodissociation study Miyazaki M, Fujii A, Mikami N
8273 - 8278	Infrared photodissociation spectroscopy of the benzoic acid radical cation in a quadrupole trap Oomens J, von Helden G, Meijer G
8279 - 8286	Excited states of bridged [14]annulenes Moroni L, Gellini C, Salvi PR, Vogel E
8287 - 8295	Pulse radiolysis study on the estimation of radiolytic yields of water decomposition products in high-temperature and supercritical water: Use of methyl viologen as a scavenger Lin MZ, Katsumura Y, Muroya Y, He H, Wu GZ, Han ZH, Miyazaki T, Kudo H
8296 - 8306	Some observations concerning detailed balance in association/dissociation reactions Miller JA, Klippenstein SJ
8307 - 8316	Wavelength-dependent photolysis of n-hexanal and n-heptanal in the 280-330-nm region Tang YX, Zhu L
8317 - 8323	High-temperature shock tube studies using multipass absorption: Rate constant results for OH+CH3, OH+CH2, and the dissociation of CH3OH Krasnoperov LN, Michael JV
8324 - 8332	Thermodynamic properties of polychlorinated biphenyls in the gas phase Dorofeeva OV, Moiseeva NF, Yungman VS
8333 - 8340	Drastic changes in the lifetime and electron transfer and energy transfer reactivity of the triplet excited state of p-benzoquinone by complex formation with scandium ion salts Yuasa J, Ohkubo K, Guldi DM, Fukuzumi S
8341 - 8345	A mechanism for the destruction of CFC-12 in a nonthermal, atmospheric pressure plasma Ricketts CL, Wallis AE, Whitehead JC, Zhang K
8346 - 8352	Competitive threshold collision-induced dissociation: Gas-phase acidity and O-H bond dissociation enthalpy of phenol Angel LA, Ervin KM
8353 - 8366	Thermochemical properties, rotation barriers, bond energies, and group additivity for vinyl, phenyl, ethynyl, and allyl peroxides Sebbar N, Bozzelli JW, Bockhorn H
8367 - 8372	Theoretical survey of the potential energy surface of ethylenediamine plus Cu+ reactions Alcami M, Luna A, Mo O, Yanez M, Tortajada J
8373 - 8377	Ab initio and DFT study of the reaction mechanism of diformylketene with formamide Montero-Campillo MM, Rodriguez-Otero J, Cabaleiro-Lago EM
8378 - 8384	Crystalline effects on the properties of the dative bond: A computational study of HCN-BF3 Venter G, Dillen J
8385 - 8394	Atomic charges are measurable quantum expectation values: A rebuttal of criticisms of QTAIM charges Bader RFW, Matta CF
8395 - 8399	Potential energy surfaces for the reactions Si+O-2 Adamovic I, Gordon MS
8400 - 8406	NaSCN: Striking differences between its gas-phase and crystal-phase structure: A theoretical study Olah J, Van Alsenoy C, Veszpremi T
8407 - 8410	Structure and coordination modes in the interaction between Cd2+ and 3-mercaptopropionic acid Belcastro M, Marino T, Russo N, Sicilia E
8411 - 8418	The 5-dehydro-m-xylylene triradical and its nitrogen and phosphorus derivatives: Open-shell doublet versus quartet ground state Nguyen HMT, Gopakumar G, Peeters J, Nguyen MT
8419 - 8433	Computational study of the oxygen initiated decomposition of 2-oxepinoxy radical: A key intermediate in the oxidation of benzene Merle JK, Hadad CM
8434 - 8438	Explanation of the anomalous complexation of silver(I) with ammonia in terms of the poor affinity of the ion for water Antolovich M, Lindoy LF, Reimers JR
8439 - 8447	Solvent effect on the conformational equilibrium of 1,2-dichloroethane in water. The role of solute polarization Madurga S, Vilaseca E
8448 - 8455	Hydrogen shift isomerization study of doubly bonded compounds between heavy group 15 elements HXYH (X,Y = As, Sb, and Bi) Su MD, Lai CH, Cheng MJ, Chu SY
8456 - 8459	GIAO-MP2/SCF/DFT calculated NMR chemical shift relationships in isostructural onium ions containing hypercoordinate boron, carbon, aluminum, and silicon atoms Rasul G, Prakash GKS, Olah GA
8460 - 8466	Activation of H-H, C-H, C-C, and C-Cl bonds by Pd(0). Insight from the activation strain model Diefenbach A, Bickelhaupt FM
8467 - 8477	Time-dependent density functional theory calculations of ligand K edge and metal L edge X-ray absorption of a series of oxomolybdenum complexes Fronzoni G, Stener A, Reduce A, Decleva P
8478 - 8484	Calculation of static (hyper)polarizabilities for pi-conjugated donor/acceptor molecules and block copolymers by the elongation finite-field method Ohnishi S, Gu FL, Naka K, Imamura A, Kirtman B, Aoki Y
8485 - 8494	Theoretical investigation of gas-phase thermal reactions between carbon monoxide and water Hu SW, Lu SM, Wang XY
8495 - 8504	Assessment of Handy-Cohen optimized exchange density functional (OPTX) Xu X, Goddard WA
8505 - 8513	C-13 NMR study of the self-association of chloroquine, amodiaquine, and quinine Casabianca LB, de Dios AC
8514 - 8525	Improving the accuracy of density-functional theory calculation: The statistical correction approach Wang XJ, Wong LH, Hu LH, Chan CY, Su ZM, Chen GH
8526 - 8532	Single transition state serves two mechanisms. Ab initio classical trajectory calculations of the substitution-electron transfer branching ratio in CH2O center dot-+CH3Cl Li J, Li XS, Shaik S, Schlegel HB
8533 - 8541	Toward understanding the Hofmeister series. 1. Effects of sodium salts of some anions on the molecular organization of H2O Koga Y, Westh P, Davies JV, Miki K, Nishikawa K, Katayanagi H
8542 - 8543	Comment on "gas-phase flow and diffusion analysis of the droplet-train/flow-reactor technique for the mass accommodation process" Worsnop DR, Williams LR, Kolb CE, Mozurkewich M, Gershenzon M, Davidovits P
8544 - 8545	Reply to "comment on'gas-phase flow and diffusion analysis of the droplet-train/flow-reactor technique for the mass accommodation processes Morita A, Sugiyama M, Koda S
8546 - 8548	Comment on "The NH3 mass accommodation coefficient for uptake onto sulfuric acid solution" Worsnop DR, Williams LR, Kolb CE, Mozurkewich M, Gershenzon M, Davidovits P
8549 - 8551	Reply to "comment on'The NH3 mass accommodation coefficient for uptake onto sulfuric acid solutions'" Hanson DR, Kosciuch E
8552 - 8552	Master equation models for the pressure- and temperature-dependent reactions HO+NO2 -> HONO2 and HO+NO2 -> HOONO (vol 107, pg 11057, 2003) Golden DM, Barker JR, Lohr LL