Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.29 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

6689 - 6693	Rapid calculation of the structures of solutions with a initio interaction potentials Wood RH, Liu WB, Doren DJ
6694 - 6701	Intramolecular vibrational relaxation seen as expansion in phase space. 4. Generic relaxation laws for a spectroscopic clump profile Pavlov-Verevkin VB, Lorquet JC
6702 - 6709	Role of structural changes in the triplet-triplet energy transfer process to oxime derivatives Lalevee J, Allonas X, Louerat F, Fouassier JP
6710 - 6713	Absorption spectroscopic study of the complexation of C-70 with aniline and substituted anilines Bhattacharya S, Nayak SK, Chattopadhyay S, Banerjee M, Mukherjee AK
6714 - 6719	Probing microstructure of acetonitrile-water mixtures by using two-dimensional infrared correlation spectroscopy Tee EM, Awichi A, Zhao W
6720 - 6729	Neon matrix infrared spectra and DFT calculations of tungsten hydrides WHx (x=1-4, 6) Wang XF, Andrews L
6730 - 6737	High-resolution spectroscopic study of matrix-isolated reactive intermediates: Vibrational assignments for 3-fluoro-o-benzyne and perfluoro-o-benzynel Radziszewski JG, Waluk J, Kaszynski P, Spanget-Larsen J
6738 - 6742	On the evidence obtained by exciting 7-azaindole at 320 nm in 10(-2) M solutions Catalan J
6743 - 6749	OH-radical induced oxidation of phenoxyacetic acid and 2,4-dichlorophenoxyacetic acid. Primary radical steps and products Zona R, Solar S, Sehested K, Holcman J, Mezyk SP
6750 - 6753	Photoreactions on LaTiO2N under visible light irradiation Kasahara A, Nukumizu K, Hitoki G, Takata T, Kondo JN, Hara M, Kobayashi H, Domen K
6754 - 6764	An experimental and computational study of the gas-phase structures of five-carbon Monosaccharides Guler LP, Yu YQ, Kenttamaa HI
6765 - 6774	Insertion of the A1 atom into the NH3 molecule: Semiempirical SCF MO and matrix isolation ESR study Kasai PH, Himmel HJ
6775 - 6782	Rationalizing the strength of hydrogen-bonded complexes. Ab initio HF and DFT studies Lukin O, Leszczynski J
6783 - 6791	Hydration structure and water exchange reaction of Nickel(II) ion: Classical and QM/MM Simulations Inada Y, Mohammed AM, Loeffler HH, Rode BM
6792 - 6801	Ab initio studies on the thermal dissociation channels of cis-and trans-azomethane Hon NWC, Chen ZD, Liu ZF
6802 - 6809	Reaction mechanism of chlorosiloxane ring formation from SiCl4 and O-2 Kumar A, Homann T, Jug K
6810 - 6816	Transferable scaling factors for vibrational force fields of halogenated molecules based on energy-consistent pseudopotentials Figgen D, Metz B, Stoll H, Rauhut G
6817 - 6822	Insights into the nature of SiH4-BH3 complex: Theoretical investigation of new mechanistic pathways involving SiH3 center dot and BH4 center dot radicals Hu SW, Kim J, Tarakeshwar P, Kim KS
6823 - 6831	Reduced radical characteristics of 7-aminocoumarin dyes studied by pulse radiolysis technique Nad S, Pal H
6832 - 6838	Theoretical study of the CH center dot center dot center dot X-interaction of fluoromethanes and chloromethanes with fluoride, chloride, and hydroxide anions Kryachko ES, Zeegers-Huyskens T
6839 - 6843	Ab initio study of structure and spectra of MnH2, MnH2-, and MnH3 Balabanov NB, Boggs JE
6844 - 6850	Comparison of multireference Moller-Plesset theory and time-dependent methods for the calculation of vertical excitation energies of molecules Parac M, Grimme S
6851 - 6856	Theoretical study of the interaction of NO2 molecule with a metal-zeolite model (metal=Cu, Ag, Au) Sierraalta A, Anez R, Brussin MR
6857 - 6863	Potential energy surface and vibrational predissociation dynamics of I-2(B)-Ne Garcia-Vela A
6864 - 6870	Structures and reactions of P2N2: A hybrid of elemental N-2 and P-4? Kwon O, Almond PM, McKee ML
6871 - 6875	Quantitative characterization of the local electrophilicity of organic molecules. Understanding the regioselectivity on Diels-Alder reactions Domingo LR, Aurell MJ, Perez P, Contreras R
6876 - 6879	Structures, energies, and NMR shieldings of some small water clusters on the counterpoise corrected potential energy surface Chesnut DB
6880 - 6882	Dissociation barriers for odd-numbered acyclic nitrogen molecules N-9 and N-11 Thompson MD, Bledson TM, Strout DL
6883 - 6889	Counterpoise corrected ion/molecule complexes using two or three fragments Salvador P, Duran M, Dannenberg JJ
6890 - 6896	Local spin III: Wave function analysis along a reaction coordinate, H atom abstraction, and addition processes of benzyne Clark AE, Davidson ER
6897 - 6903	Charge density studies of weak interactions in dipicrylamine Wozniak K, Mallinson PR, Wilson CC, Hovestreydt E, Grech E
6904 - 6908	"Phantom activation volumes" are indeed real activation volumes Weber CF, van Eldik R
6909 - 6910	Reply to "'phantom activation volumes' are indeed real activation volumes" Firestone RA, Swiss KA