Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.23 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (36 articles)

4979 - 4982	Broken inter-C-60 bonds as the cause of magnetism in polymeric C-60: A density functional study using C-60 dimers Ribas-Arino J, Curioni A, Andreoni W, Novoa JJ
4983 - 4988	Variation of the resonant transfer rate when passing from nonadiabatic to adiabatic electron transfer Gladkikh V, Burshtein AI, Rips I
4989 - 4994	Time-resolved kinetic studies on quenching of HCF(A(1)A'') by alkane and alcohol molecules Yang XL, Zhang WQ, Ji M, Chen Y, Chen CX
4995 - 4999	Photodissociation dynamics of ethyltoluene and p-fluoroethylbenzene at 193 and 248 nm Huang CL, Dyakov YA, Lin SH, Lee YT, Ni CK
5000 - 5004	Kinetics study of the photocleavage of (coumarin-4-yl)methyl esters Schmidt R, Geissler D, Hagen V, Bendig J
5005 - 5015	Exit routes from the transition state: Angular momentum constraints on the formation of products McCaffery AJ, Osborne MA, Marsh RJ
5016 - 5025	Ligand-to-diimine/metal-to-diimine charge-transfer excited states of [Re(NCS)(CO)(3)(alpha-diimine)] (alpha-diimine=2,2'-bipyridine, di-Pr-i-N,N-1,4-diazabutadiene). A spectroscopic and computational study Rodriguez AMB, Gabrielsson A, Motevalli M, Matousek P, Towrie M, Sebera J, Zalis S, Vlcek A
5026 - 5034	Experimental and computational study of the ZnnSn and ZnnSn+ clusters Burnin A, Sanville E, BelBruno JJ
5035 - 5041	Low-field optically detected EPR spectroscopy of transient photoinduced radical pairs Rodgers CT, Henbest KB, Kukura P, Timmel CR, Hore PJ
5042 - 5049	Interior and interfacial aqueous solvation of benzene dicarboxylate dianions and their methylated analogues: A combined molecular dynamics and photoelectron spectroscopy study Minofar B, Vrbka L, Mucha M, Jungwirth P, Yang X, Wang XB, Fu YJ, Wang LS
5050 - 5054	Selective measurement of heteronuclear H-1-C-13 dipolar couplings in motionally heterogeneous semicrystalline polymer systems Brus J, Urbanova M
5055 - 5063	Probing the Watson-Crick, wobble, and sugar-edge hydrogen bond sites of uracil and thymine Muller A, Frey JA, Leutwyler S
5064 - 5069	CIDEP of micellized radical pairs in low magnetic fields Bagryanskaya E, Fedin M, Forbes MDE
5070 - 5078	Magnetic field induced dipolar couplings in the pretransitional region of a nematic liquid crystal Merlet D, Lesage A, Emsley JW
5079 - 5084	Infrared spectra and structures of the OSc(N-2), OScNN, and OScNN+ complexes in solid argon Zhou MF, Wang GJ, Zhao YY, Chen MH, Ding CF
5085 - 5092	Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene Thomas TD, Saethre LJ, Borve KJ, Gundersen M, Kukk E
5093 - 5103	The visible absorption spectrum of OBrO, investigated by Fourier transform spectroscopy Fleischmann OC, Meyer-Arnek J, Burrows JP, Orphal J
5104 - 5118	Atmospheric chemistry of C-3-C-6 cycloalkanecarbaldehydes D'Anna B, Wisthaler A, Andreasen O, Hansel A, Hjorth J, Jensen NR, Nielsen CJ, Stenstrom Y, Viidanoja J
5119 - 5123	C3H3+ isomers: Temperature dependencies of production in the H-3(+) reaction with allene and loss by dissociative recombination with electrons McLain JL, Poterya V, Molek CD, Jackson DM, Babcock LM, Adams NG
5124 - 5128	A three-variable model for the explanation of the "supercatalytic" effect of hydrogen ion in the chlorite-tetrathionate reaction Horvath AK
5129 - 5135	Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory Dixon DA, Gutowski M
5136 - 5143	The influence of solvation and finite temperatures on the Wittig reaction: A theoretical study Seth M, Senn HM, Ziegler T
5144 - 5152	Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq) Pejov L, Spangberg D, Hermansson K
5153 - 5159	Marked influences on the adenine-cytosine base pairs by electron attachment and ionization Tian SX
5160 - 5167	Net and multiplet CIDEP of the observer spin in recombination of radical-biradical pair Ivanov KL
5168 - 5175	A multireference configuration interaction investigation of the excited-state energy surfaces of fluoroethylene (C2H3F) Barbatti M, Aquino AJA, Lischka H
5176 - 5185	A numerical simulation of nonadiabatic electron excitation in the strong field regime: Linear polyenes Smith SM, Li XS, Markevitch AN, Romanov DA, Levis RJ, Schlegel HB
5186 - 5192	Molecular structures and properties of the complete series of bromophenols: Density functional theory calculations Han J, Lee H, Tao FM
5193 - 5197	Structural transition from icosahedra to decahedra of large Lennard-Jones clusters Shao XG, Xiang YH, Cai WS
5198 - 5202	Diketoacid HIV-1 integrase inhibitors: An ab initio study Huang ML, Richards WG, Grant GH
5203 - 5207	On the convergence of parallel tempering Monte Carlo simulations of LJ(38) Liu HB, Jordan KD
5208 - 5216	Effect of the TBP and water on the complexation of uranyl nitrate and the dissolution of nitric acid into supercritical CO2 - A theoretical study Schurhammer R, Wipff G
5217 - 5229	Calculation of electron detachment energies for water cluster anions: An appraisal of electronic structure methods, with application to (H2O)(20)over-bar and (H2O)(24)over-bar Herbert JM, Head-Gordon M
5230 - 5236	Direct ab initio dynamics study of the OH plus HOCO reaction Yu HG, Muckerman JT, Francisco JS
5237 - 5242	Unexpected effect of charge density of the aromatic guests on the stability of calix[6]arene phenol host guest complexes Kunsagi-Mate S, Szabo K, Bitter I, Nagy G, Kollar L
5243 - 5244	Entropy changes in the dissociation of proton-bound complexes: A variational RRKM study (vol 109, pg 23, 2005) Grabowy JAD, Mayer PM