Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.110, No.20 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (26 articles)

6387 - 6390	Infrared and electronic spectroscopy of a model system for the nucleophilic substitution intermediate in the gas phase: The C-N valence bond formation in the benzene-ammonia cluster cation Mizuse K, Fujii A, Mikami N
6391 - 6394	General method for the dimension reduction of adaptive control experiments Montgomery MA, Meglen RR, Damrauer NH
6395 - 6398	Control of branching ratios in the dissociative ionization of deuterium chloride Breunig HG, Lauer A, Weitzel KM
6399 - 6407	Remarkable features in the interactions of quadrupolar molecules Jaeger HM, Swenson DWH, Dykstra CE
6408 - 6414	Further evidence of an inverted region in proton transfer within the benzophenone/substituted aniline contact radical ion pairs; Importance of vibrational reorganization energy Heeb LR, Peters KS
6415 - 6425	Photochemical ring-opening and intramolecular hydrogen shift reactions in sulfur analogues of alpha-pyrone Breda S, Reva I, Lapinski L, Cristiano MLS, Frija L, Fausto R
6426 - 6432	CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases Blancafort L, Voityuk AA
6433 - 6438	Investigation of the two-photon absorption cross-section in perylene tetracarboxylic derivatives: Nonlinear spectra and molecular structure Correa DS, Oliveira SL, Misoguti L, Zilio SC, Aroca RF, Constantino CJL, Mendonca CR
6439 - 6446	Experimental and theoretical investigation of vibrational overtones of glycolic acid and its hydrogen bonding interactions with water Havey DK, Feierabend KJ, Takahashi K, Skodje RT, Vaida V
6447 - 6453	Reactivity of the CHBr2+ dication toward molecular hydrogen Roithova J, Zabka J, Herman Z, Thissen R, Schroder D, Schwarz H
6454 - 6458	Single site electronic spectroscopy of magnesium isobacteriochlorin in n-octane matrixes at 7 K Singh A, Huang WY, Scheiner P, Johnson LW
6459 - 6464	One- and two-photon absorption and emission properties of a Zn(II) chemosensor Bozio R, Cecchetto E, Fabbrini G, Ferrante C, Maggini M, Menna E, Pedron D, Ricco R, Signorini R, Zerbetto M
6465 - 6471	Effect of aggregation on the excited-state electronic structure of perylene studied by transient absorption spectroscopy Furube A, Murai M, Tamaki Y, Watanabe S, Katoh R
6472 - 6481	A combined matrix isolation and ab initio study of bromine oxides Galvez O, Zoermer A, Loewenschuss A, Grothe H
6482 - 6486	Electron affinities of polycyclic aromatic hydrocarbons by means of B3LYP/6-31+G* calculations Modelli A, Mussoni L, Fabbri D
6487 - 6497	Classical polarization in hybrid QM/MM methods Illingworth CJR, Gooding SR, Winn PJ, Jones GA, Ferenczy GG, Reynolds CA
6498 - 6503	Computation of relative bond dissociation enthalpies (Delta BDE) of phenolic antioxidants from quantum topological molecular similarity (QTMS) Singh N, Loader RJ, O'Malley PJ, Popelier PLA
6504 - 6513	Study of rhamnose radicals in the solid state adopting a density functional theory cluster approach Pauwels E, Van Speybroeck V, Waroquier M
6514 - 6521	Cooperativity in hydrogen-bonded interactions: Ab initio and "atoms in molecules" analyses Ziolkowski M, Grabowski SJ, Leszczynski J
6522 - 6530	Theoretical and experimental investigation of the energetics of cis-trans proline isomerization in peptide models Schroeder OE, Carper E, Wind JJ, Poutsma JL, Etzkorn FA, Poutsma JC
6531 - 6539	Conformational behavior of dimethyl 5-methyl-1H,3H-pyrrolo[1,2-c][1,3] thiazole-6,7-dicarboxylate 2,2-dioxide isolated in low-temperature matrixes Kaczor A, Melo TMVDPE, Soares MIL, Fausto R
6540 - 6544	pK(a) prediction using group philicity Parthasarathi R, Padmanabhan J, Elango M, Chitra K, Subramanian V, Chattaraj PK
6545 - 6551	Estimation of the barrier to rotation of benzene in the (eta(6)-C6H6)(2)Cr crystal via topological analysis of the electron density distribution function Lyssenko KA, Korlyukov AA, Golovanov DG, Ketkov SY, Antipin MY
6552 - 6562	EPR and ENDOR study of radiation-induced radical formation in purines: Sodium inosine crystals X-irradiated at 10 K Tokdemir S, Nelson WH
6563 - 6570	Theoretical study of alkali cation-benzene complexes: Potential energy surfaces and binding energies with improved results for rubidium and cesium Coletti C, Re N
6571 - 6578	Space-time contours to treat the interaction between an intense electric field and a molecular system Baer M