Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.50 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (38 articles)

11339 - 11340	A tribute to Jack Simons Boldyrev A, Nichols J, Jordan K
11341 - 11353	Autobiography of Jack Simons Simons J
11354 - 11357	Nucleation from a supercooled binary mixture studied by crossed polarizers Wilson PW, Haymet ADJ
11358 - 11364	Monoligated monovalent Ni: the 3d(Ni)(9) manifold of states of NiCu and comparison to the 3d(9) states of AlNi, NiH, NiCl, and NiF Rothschopf GK, Morse MD
11365 - 11375	Sequential bond energies of Fe+(CO2)(n), n=1-5, determined by threshold collision-induced dissociation and ab initio theory Armentrout PB, Koizumi H, MacKenna M
11376 - 11384	Direct dynamics trajectory study of the reaction of formaldehyde cation with D-2: Vibrational and zero-point energy effects on quasiclassical trajectories Liu JB, Song KY, Hase WL, Anderson SL
11385 - 11394	Chemical bonding in Si-5(2-) and NaSi5- via photoelectron spectroscopy and ab initio calculations Zubarev DY, Boldyrev AI, Li X, Cui LF, Wang LS
11395 - 11400	Temperature-dependent photoelectron spectroscopy of methyl benzoate anions: Observation of steric effect in o-methyl benzoate Woo HK, Wang XB, Kiran B, Wang LS
11401 - 11406	Stable and long-lived trianions in the gas phase Feuerbacher S, Cederbaum LS
11407 - 11412	Negatively charged xanthine. I. Anions formed by canonical isomers Berdys-Kochanska J, Kruszewski J, Skurski P
11413 - 11416	Highly compact wave functions for He-like systems Harris FE, Smith VH
11417 - 11423	Derivation of quantum Langevin equation from an explicit molecule-medium treatment in interaction picture Datta SN
11424 - 11428	Length and substituent-scrambling energies of parent and halogen-substituted conjugated polyynes East ALL, Grittner KL, Afzal AI, Simpson AG, Liebman JF
11429 - 11436	Analysis of local anharmonicity using Gaussian model potentials and Cartesian oscillator basis sets: Example, HCN Schmidt PP
11437 - 11442	Singlet-triplet splittings and ground- and excited-state electron affinities of selected cyanosilylenes, XSiCN (X = H, F, Cl, CH3, SiH3, CN) Kalcher J
11443 - 11452	Solvent effects on interfacial electron transfer from Ru(4,4'-dicarboxylic acid-2,2'-bipyridine)(2)(NCS)(2) to nanoparticulate TiO2: Spectroscopy and solar photoconversion Pollard JA, Zhang DS, Downing JA, Knorr FJ, McHale JL
11453 - 11461	Moment analysis method as applied to the S-2 -> P-2 transition in cryogenic alkali metal/rare gas matrices Vosbein HAT, Boatz JA, Kenney JW
11462 - 11469	Reappraisal of the role of size-extensive normalization for multireference coupled cluster (MRCC) theory using general model space: A valence universal MRCC approach Bera N, Ghosh S, Mukherjee D, Chattopadhyay S
11470 - 11474	Mechanism of the aminolysis of methyl benzoate: A computational study Galabov B, Atanasov Y, Ilieva S, Schaefer HF
11475 - 11483	Dynamics of charge-transfer-to-solvent precursor states in I-(water)(n) (n=3-10) clusters studied with photoelectron imaging Kammrath A, Verlet JRR, Bragg AE, Griffin GB, Neumark DM
11484 - 11494	Interactions in open-shell clusters: Ab initio study of pre-reactive complex O(P-3)+HCl Rode JE, Klos J, Rajchel L, Szczesniak MM, Chalasinski G, Buchachenko AA
11495 - 11503	Stabilization of very rare tautomers of 1-methylcytosine by an excess electron Haranczyk M, Rak J, Gutowski M
11504 - 11514	Photoelectron spectra and ion chemistry of imidazolide Gianola AJ, Ichino T, Hoenigman RL, Kato S, Bierbaum VM, Lineberger WC
11515 - 11520	Molecular dynamics of complex gas-phase reactive systems by time-dependent groups Salazar MR
11521 - 11525	Electronic structure differences in ZrO2 vs HfO2 Zheng WJ, Bowen KH, Li J, Dabkowska I, Gutowski M
11526 - 11530	Infrared spectrum and structural assignment of the water trimer anion Hammer NI, Roscioli JR, Johnson MA, Myshakin EM, Jordan KD
11531 - 11538	Quantum drude oscillator model for describing the interaction of excess electrons with water clusters: An application to (H2O)(13)(-) Sommerfeld T, Jordan KD
11539 - 11550	Cation-pi interactions with a model for the side chain of tryptophan: Structures and absolute binding energies of alkali metal cation-indole complexes Ruan CH, Yang ZB, Hallowita N, Rodgers MT
11551 - 11559	Dissociation of benzene dication [C6H6](2+): Exploring the potential energy surface Anand S, Schlegel HB
11560 - 11567	MX3- superhalogens (M = Be, Mg, Ca; X = Cl, Br): A photoelectron spectroscopic and ab initio theoretical study Elliott BM, Koyle E, Boldyrev AI, Wang XB, Wang LS
11568 - 11577	Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: Density functional studies with relativistic effective core potentials de Jong WA, Apra E, Windus TL, Nichols JA, Harrison RJ, Gutowski KE, Dixon DA
11578 - 11586	Quasiresonance: Switching enternal energy transfer on and off Ruiz A, Heller EJ
11587 - 11595	Intermolecular potential of the O-2-O-2 dimer. An ab initio study and comparison with experiment Hernandez-Lamoneda R, Bartolomei M, Hernandez MI, Campos-Martinez J, Dayou F
11596 - 11601	Ab initio electron propagator calculations on the ionization energies of free base porphine, magnesium porphyrin, and zinc porphyrin Dolgounitcheva O, Zakrzewski VG, Ortiz JV
11602 - 11608	p-difluorobenzene-argon ground state intermolecular potential energy surface Fajin JLC, Fernandez B, Felker PM
11609 - 11617	An efficient and accurate implementation of centroid molecular dynamics using a Gaussian approximation Ka BJ, Voth GA
11618 - 11628	Quadratic response functions in a second-order polarization propagator framework Olsen J, Jorgensen P, Helgaker T, Oddershede J
11629 - 11641	A general nonlinear expansion form for electronic wave functions Shepard R