Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.29 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

6387 - 6391	Processing multimode binding situations in simulation-based prediction of ligand-macromolecule affinities Khandelwal A, Lukacova V, Kroll DM, Raha S, Comez D, Balaz S
6392 - 6396	Quantum state-resolved study of the four-atom reaction OH-(X-1 Sigma(+))+D-2(X-1 Sigma(+)(g), v=0)-> HOD (X(1)A', nu')+D-(S-1) Li Y, Liu L, Farrar JM
6397 - 6405	Dimers of formic acid, acetic acid, formamide and pyrrole-2-carboxylic acid: an ab initio study Gora RW, Grabowski SJ, Leszczynski J
6406 - 6419	High-LET Radiolysis of liquid water with H-1(+), He-4(2+),C-12(6+), and Ne-20(9+) ions: Effects of multiple ionization Meesungnoen J, Jay-Gerin JP
6420 - 6429	The tetrafluoro analogue of DMABN: Anomalous fluorescence and mechanistic considerations Murali S, Kharlanov V, Rettig W, Tolmachev AI, Kropachev AV
6430 - 6439	A study of the unimolecular dissociation of the 2-buten-2-yl radical via the 193 nm photodissociation of 2-chloro-2-butene McCunn LR, Krisch MJ, Liu Y, Butler LJ, Shu JN
6440 - 6449	Unexpected photophysical properties of symmetric indolylmaleimide derivatives Kaletas BK, Mandl C, van der Zwan G, Fanti M, Zerbetto F, De Cola L, Konig B, Williams RM
6450 - 6456	Excited-state behavior of N-phenyl-substituted trans-3-aminostilbenes: Where the "m-amino effect" meets the "amino-conjugation effect" Yang JS, Liau KL, Tu CW, Hwang CY
6457 - 6464	Quantitative description of the deactivation channels of the first excited singlet state of 2-and 4-thiosalicylic acids Riyad YM, Hermann R, Brede O
6465 - 6470	Polymerization of ethylene molecules chemisorbed on CrOH+ as a model system of chromium-containing catalyst Hanmura T, Ichihashi M, Monoi T, Matsuura K, Kondow T
6471 - 6482	Large amplitude out-of-plane vibrations of 1,3-benzodioxole in the S-0 and S-1 states: An analysis of fluorescence and excitation spectra by ab initio calculations Emanuele E, Orlandi G
6483 - 6497	Water pentamer: Characterization of the torsional-puckering manifold by terahertz VRT spectroscopy Harker HA, Viant MR, Keutsch FN, Michael EA, McLaughlin RP, Saykally RJ
6498 - 6502	Theoretical study on the reaction mechanism of the gas-phase H-2/CO2/Ni(D-3) system Qin S, Hu CW, Yang HQ, Su ZS
6503 - 6508	Theoretical study on reaction mechanism of the ketenylidene radical with nitrogen dioxide Zhang JX, Liu JY, Li ZS, Sun CC
6509 - 6520	Formation of nitric acid in the gas-phase HO2+NOreaction: Effects of temperature and water vapor Butkovskaya NI, Kukui A, Pouvesle N, Le Bras G
6521 - 6526	Roles of hydrophobicity and volatility of organic substrates on sonolytic kinetics in aqueous solutions Wu ZL, Ondruschka B
6527 - 6531	Rate constants of the reaction of NO3 with CH3I measured with use of cavity ring-down spectroscopy Nakano Y, Ishiwata T, Kawasaki M
6532 - 6539	Topological analysis of the electron density distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluoride Espinosa E, Alkorta L, Mata I, Molins E
6540 - 6548	A computational study of the reaction of ground-state nitrogen atoms with chloromethyl radicals Cimas A, Rayon VM, Aschi M, Barrientos C, Sordo JA, Largo A
6549 - 6554	Ab initio investigation of the electronic structure and bonding of the HC(N-2)(x)(+) and HC(CO)(x)(+) cations, x = 1, 2 Papakondylis A, Mavridis A
6555 - 6564	Interaction energies and NMR indirect nuclear spin-spin coupling constants in linear HCN and HNC complexes Provasi PF, Aucar GA, Sanchez M, Alkorta I, Elguero J, Sauer SPA
6565 - 6574	Ab initio vibrational calculations for H2SO4 and H2SO4 center dot H2O: Spectroscopy and the nature of the anharmonic couplings Miller Y, Chaban GM, Gerber RB
6575 - 6579	New relativistic ANO basis sets for transition metal atoms Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO
6580 - 6586	Theoretical study of isoelectronic molecules: B6H10, 2-CB5H9, 2,3-C2B4H8, 2,3,4-C3B3H7, and 2,3,4,5-C4B2H6 Tian SX
6587 - 6591	Determination of three-center bond indices from population analyses: A fuzzy atom treatment Torre A, Alcoba DR, Lain L, Bochicchio RC
6592 - 6596	A new method to evaluate the stability of the covalent compound: By the charges on the common atom or group Zhang CY, Shu YJ, Wang XF, Zhao XD, Tan BS, Peng RF
6597 - 6605	Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: The beta-ionone "handle" and alkyl group effect Cembran A, Gonzalez-Luque R, Altoe P, Merchan M, Bernardi F, Olivucci M, Garavelli M
6606 - 6609	Multicenter bond indices as a new means for the quantitative characterization of homoaromaticity Ponec R, Bultinck P, Saliner AG
6610 - 6619	Hydrothermal carbon-carbon bond formation and disproportionations of C1 aldehydes: Formaldehyde and formic acid Morooka S, Wakai C, Matubayasi N, Nakahara M