Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.4 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

581 - 588	The Hammett relationship and reactions in the excited electronic state: Hemithioindigo Z/E-photoisomerization Cordes T, Schadendorf T, Priewisch B, Ruck-Braun K, Zinth W
589 - 593	Proton-transfer mediated quenching of pyrene/indole charge-transfer states in isooctane solutions Altamirano MS, Bohorquez MD, Previtali CM, Chesta CA
594 - 601	Solvent and spectral effects in the ultrafast charge recombination dynamics of excited donor-acceptor complexes Feskov SV, Ionkin VN, Ivanov AI, Hagemann H, Vauthey E
602 - 611	Fully Coriolis-coupled quantum studies of the H+O-2 (v(i)=0-2, j(i)=0,1) -> OH+O reaction on an accurate potential energy surface: Integral cross sections and rate constants Lin SY, Sun ZG, Guo H, Zhang DH, Honvault P, Xie DQ, Leo SY
612 - 617	Measurement of the field-free alignment of diatomic molecules Xu N, Wu CY, Gao YN, Jiang HB, Yang H, Gong QH
618 - 623	Experimental studies on the chemiluminescence reaction mechanism of carbonate/bicarbonate and hydrogen peroxide in the presence of cobalt(II) Liang SX, Zhao LX, Zhang BT, Lin JM
624 - 634	Substituent effects in the iron 2p and carbon 1s edge near-edge X-ray absorption fine structure (NEXAFS) spectroscopy of ferrocene compounds Otero E, Wilks RG, Regier T, Blyth RIR, Moewes A, Urquhart SG
635 - 642	Does bimolecular charge recombination in highly exergonic electron transfer afford the triplet excited state or the ground state of a photosensitizer? Murakami M, Ohkubo K, Mandal P, Ganguly T, Fukuzumi S
643 - 651	Oxygenation of Fe(II) in the presence of citrate in aqueous solutions at pH 6.0-8.0 and 25 degrees C: Interpretation from an Fe(II)/citrate speciation perspective Pham AN, Waite TD
652 - 659	Preparation, crystal structure, and thermolysis of phenylenediammonium diperchlorate salts Kapoor IPS, Srivastava P, Singh G, Singh UP, Frohlich R
660 - 668	Interaction of nitrate, barium, strontium and cadmium ions with fused quartz/water interfaces studied by second harmonic generation Hayes PL, Malin JN, Konek CT, Geiger FM
669 - 677	"Depth-profiling" and quantitative characterization of the size, composition, shape, density, and morphology of fine particles with SPLAT, a single-particle mass spectrometer Zelenyuk A, Yang J, Song C, Zaveri RA, Imre D
678 - 685	Hartree-Fock and density functional theory study of alpha-cyclodextrin conformers Jimenez V, Alderete JB
686 - 692	Understanding the planar tetracoordinate carbon atom: Spiropentadiene dication Firme CL, Barreiro NBP, Esteves PM, Correa RJ
693 - 699	Quasiplanarity of the peptide bond Chalupsky J, Vondrasek J, Spirko V
700 - 716	An ab initio G3-type/statistical theory study of the formation of indene in combustion flames. II. The pathways originating from reactions of cyclic C-5 species - Cyclopentadiene and cyclopentadienyl radicals Kislov VV, Mebel AM
717 - 721	Understanding the reactivity of the tetrahedrally coordinated high-valence d(0) transition metal oxides toward the C-H bond activation of alkanes: A cluster model study Fu G, Chen ZN, Xu X, Wan HL
722 - 727	Theoretical study of the potential energy surfaces of the van der Waals H2O-X-2(+) (X = Cl or Br) complexes Ayed T, Lamoneda RH, Janda KC
728 - 736	Ab initio modeling of defect signatures in infrared reflection-absorption spectra of SAMs exposing methyl- and hydrogen-terminated oligo(ethylene glycols) Malysheva L, Onipko A, Liedberg B
737 - 743	Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra Xiao-Yu K, Ai-Jie M, Hui W
744 - 751	Microhydration of X-2 gas (X = Cl, Br, and I): A theoretical study on X-2 center dot nH(2)O clusters (n=1-8) Pathak AK, Mukherjee T, Maity DK
752 - 757	A one-dimensional energy diffusion approach to multidimensional dynamical processes in the condensed phase Samanta A, Ghosh SK
758 - 767	Vibronic coupling in naphthalene anion: Vibronic coupling density analysis for totally symmetric vibrational modes Sato T, Tokunaga K, Tanaka K
768 - 774	An ab initio study of the vibronic structure in the a(1)Delta(g) electronic state of C2H2++ Peric M, Paiaudoux J, Hochlaf M
775 - 782	Correlations and predictions of carboxylic acid pK(a) values using intermolecular structure and properties of hydrogen-bonded complexes Tao L, Han J, Tao FM