Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.24 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

5123 - 5125	Hydration of Hg2+ in aqueous solution studied by neutron diffraction with isotopic substitution Sobolev O, Cuello GJ, Roman-Ross G, Skipper NT, Charlet L
5126 - 5129	General method for reducing adaptive laser pulse-shaping experiments to a single control variable Montgomery MA, Meglen RR, Damrauer NH
5130 - 5135	Initial excited-state structural dynamics of thymine are coincident with the expected photochemical dynamics Yarasi S, Brost P, Loppnow GR
5136 - 5143	Ultrafast photoinduced electron transfer in directly linked porphyrin-ferrocene dyads Kubo M, Mori Y, Otani M, Murakami M, Ishibashi Y, Yasuda M, Hosomizu K, Miyasaka H, Imahori H, Nakashima S
5144 - 5157	Watching Na atoms solvate into (Na+,e(-)) contact pairs: Untangling the ultrafast charge-transfer-to-solvent dynamics of Na- in tetrahydrofuran (THF) Cavanagh MC, Larsen RE, Schwartz BJ
5158 - 5165	The solvation of Cu2+ with gas-phase clusters of water and ammonia Duncombe BJ, Duale K, Buchanan-Smith A, Stace AJ
5166 - 5175	Rotational fluctuations of water confined to layered oxide materials: Nonmonotonous temperature dependence of relaxation times Frunza L, Schonhals A, Frunza S, Parvulescu VI, Cojocaru B, Carriazo D, Martin C, Rives V
5176 - 5184	Two-dimensional circularly polarized IR photon echo spectroscopy of polypeptides: Four-wave-mixing optical activity measurement Choi JH, Cho M
5185 - 5191	Hydrogen-bonding between pyrimidine and water: A vibrational spectroscopic analysis Schlucker S, Koster J, Singh RK, Asthana BP
5192 - 5200	Structures and cis-to-trans photoisomerization of hexafluoro-1,3-butadiene radical cation: Electron spin resonance and computational studies Xiao HY, Cao J, Liu YJ, Fang WH, Tachikawa H, Shiotani M
5201 - 5210	Matrix infrared spectroscopic studies of the MH-C2H3 and MH2-C2H2 intermediates in the reactions of ethylene with laser-ablated group 5 metal atoms Cho HG, Andrews L
5211 - 5217	Spin state selective detection of single quantum transitions using multiple quantum coherence: Simplifying the analyses of complex NMR spectra Baishya B, Suryaprakash N
5218 - 5222	Kinetics for the reactions of O- and O-2(-) with O-2(a(1)Delta(g)) measured in a selected ion flow tube at 300 K Midey A, Dotan I, Lee S, Rawlins WT, Johnson MA, Viggiano AA
5223 - 5231	The structure of the hydrated electron. Part 1. Magnetic resonance of internally trapping water anions: A density functional theory study Shkrob IA
5232 - 5243	The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: Single-excitation configuration interaction study Shkrob IA, Glover WJ, Larsen RE, Schwartz BJ
5244 - 5252	Ab initio/DFT and AIM studies on dual hydrogen-bonded complexes of 2-hydroxypyridine/2-pyridone tautomerism Wu DL, Liu L, Liu GF, Jia DZ
5253 - 5258	Theoretical study of the reaction mechanisms involved in the thermal intramolecular reactions of 1,6-fullerenynes Guell M, Martin N, Altable M, Filippone S, Martin-Domenech A, Sola M
5259 - 5269	Glycine in an electronically excited state: Ab initio electronic structure and dynamical calculations Muchova E, Slavicek P, Sobolewski AL, Hobza P
5270 - 5279	Spin-orbit relativistic time-dependent density functional calculations of the metal and ligand pre-edge XAS intensities of organotitanium complexes: TiCl4, Ti(eta(5)-C5H5)Cl-3, and Ti(eta(5)-C5H5)(2)Cl-2 Casarin M, Finetti P, Vittadini A, Wang F, Ziegler T
5280 - 5286	Experimental and computational thermochemical study of 2-and 3-thiopheneacetic acid methyl esters Roux MV, Temprado M, Notario R, Chickos JS, Santos AFLOM, da Silva MAVR
5287 - 5293	Global minimum structures of Morse clusters as a function of the range of the potential: 81 <= N <= 160 Cheng LJ, Yang JL
5294 - 5299	Spin polarization, delocalization, and the effect of nonplanarity in hyperfine coupling constants of perfluorinated alkyl radicals Mitov S, Panchenko A, Roduner E
5300 - 5303	Conformation dependence of the (CD alpha)-D-alpha stretch mode in peptides. 1. Isolated alanine peptide structures Mirkin NG, Krimm S
5304 - 5313	Restricted geometry optimization: A different way to estimate stabilization energies for aromatic molecules of various types Bao P, Yu ZH
5314 - 5326	Scaled second-order perturbation corrections to configuration interaction singles: Efficient and reliable excitation energy methods Rhee YM, Head-Gordon M
5327 - 5332	Theoretical prediction of the S-1-S-0 internal conversion of 6-cyanoazulene Amatatsu Y
5333 - 5342	The Hartree-Fock-Heitler-London method, III: Correlated diatomic hydrides Corongiu G
5343 - 5348	NMR measurements and density functional calculations of the Hg-199-C-13 spin-spin coupling tensor in methylmercury halides Autschbach J, Kantola AM, Jokisaari J