Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.48 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (53 articles)

9565 - 9568	Novel rare gas ions BXe+, BKr+, and BAr+ formed in a halogen/rare gas exchange reaction Koskinen JT, Cooks RG
9569 - 9572	Preparation of less volatile solute molecules and clusters in the gas phase through selective vibrational excitation of solvent in liquid beam of solution Horimoto N, Kohno J, Mafune F, Kondow T
9573 - 9578	When gold is not noble: Nanoscale gold catalysts Sanchez A, Abbet S, Heiz U, Schneider WD, Hakkinen H, Barnett RN, Landman U
9579 - 9590	Computer simulation study of the density and temperature dependence of fundamental and overtone vibrational dephasing in nitrogen: Interplay between different mechanisms of dephasing Gayathri N, Bagchi B
9591 - 9600	Spatially resolved thermalization dynamics of electronically photoexcited azulene probed by a molecular integrated thermometer Okazaki T, Hirota N, Nagata T, Osuka A, Terazima M
9601 - 9604	Intramolecular electron hopping in double carbazole molecules studied by the fluorescence-detected magnetic field effect Petrov NK, Alfimov MV, Budyka MF, Gavrishova TN, Staerk H
9605 - 9613	Two-photon ionization of 1,5-anthraquinonedisulfonate via photoinduced electron transfer Goez M, Zubarev V
9614 - 9625	Effects of matrix temperature and rigidity on the electronic properties of solvatochromic molecules: Electroabsorption of coumarin 153 Chowdhury A, Locknar SA, Premvardhan LL, Peteanu LA
9626 - 9635	Quantum yield switching of fluorescence by selectively bridging single and double bonds in chalcones: Involvement of two different types of conical intersections Rurack K, Dekhtyar ML, Bricks JL, Resch-Genger U, Rettig W
9636 - 9643	A tyrosyl radical in an irradiated single crystal of N-acetyl-L-tyrosine studied by X-band cw-EPR, high-frequency EPR, and ENDOR spectroscopies Mezzetti A, Maniero AL, Brustolon M, Giacometti G, Brunel LC
9644 - 9653	Ground-state proton-transfer tautomer of the salicylate anion Friedrich DM, Wang Z, Joly AG, Peterson KA, Callis PR
9654 - 9660	Molecular structure of dimethyl sulfoxide in DMSO-intercalated kaolinites at 298 and 77 K Frost RL, Kristof J, Horvath E, Kloprogge JT
9661 - 9668	Low-temperature matrix isolation studies of BCl(N-3)(2): Infrared spectra and photolysis processes Travers MJ, Eldenburg EL, Gilbert JV
9669 - 9677	Experimental and theoretical study of the spin-spin coupling tensors in methylsilane Kaski J, Lantto P, Rantala TT, Schroderus J, Vaara J, Jokisaari J
9678 - 9686	Luminescence of N-arylbenzamides in low-temperature glasses Lewis FD, Liu WZ
9687 - 9692	ZEKE and hole-burning spectroscopy of the rotational isomers of resorcinol center dot CO Geppert WD, Dessent CEH, Muller-Dethlefs K
9693 - 9701	Solvation of Cu2+ in water and ammonia insight from static and dynamical density functional theory Berces A, Nukada T, Margl P, Ziegler T
9702 - 9705	A novel application of para H-2: the reversible addition/elimination of H-2 at a Ru-3 cluster revealed by the enhanced NMR emission resonance from molecular hydrogen Aime S, Dastru W, Gobetto R, Russo A, Viale A, Canet D
9706 - 9711	Infrared ion dip spectroscopy of a noradrenaline analogue: Hydrogen bonding in 2-amino-1-phenylethanol and its singly hydrated complex Graham RJ, Kroemer RT, Mons M, Robertson EG, Snoek LC, Simons JP
9712 - 9716	Electronic spectra of the carbon chain anions C2n-1-H-1(-) (n=5-8) in the gas phase Tulej M, Guthe F, Schnaiter M, Pachkov MV, Kirkwood DA, Maier JP, Fischer G
9717 - 9730	Investigation of the heterogeneous reactivity of HCl, HBr, and HI on ice surfaces Barone SB, Zondlo MA, Tolbert MA
9731 - 9769	Analysis of tertiary butyl radical plus O-2, isobutene plus HO2, isobutene plus OH, and isobutene-OH adducts plus O-2: A detailed tertiary butyl oxidation mechanism Chen CJ, Bozzelli JW
9770 - 9779	Atmospheric lifetimes and global warming potentials of hydrofluoroethers: Reactivity toward OH, UV spectra, and IR absorption cross sections Orkin VL, Villenave E, Huie RE, Kurylo MJ
9780 - 9782	Effect of methyl ketones in the Belousov-Zhabotinskii reaction Berenstein I, Agreda J, Barragan D
9783 - 9793	Classical dynamics study of the unimolecular decomposition of CH3SH+ Martinez-Nunez E, Vazquez SA
9794 - 9804	Pyrene photochemistry in solid n-alkane matrices: Comparisons with liquid-phase reactions Zimerman OE, Weiss RG
9805 - 9814	Absolute and site-specific abstraction rate coefficients for reactions of Cl with CH3CH2OH, CH3CD2OH, and CD3CH2OB between 295 and 600 K Taatjes CA, Christensen LK, Hurley MD, Wallington TJ
9815 - 9820	Anisole as an ambidentate ligand: Ab initio molecular orbital study of alkali metal cations binding to anisole Nicholas JB, Hay BP
9821 - 9829	Ab initio and density functional calculations of the energies of the singlet and triplet valence excited states of pyrazine Weber P, Reimers JR
9830 - 9841	Ab initio and density-functional calculations of the vibrational structure of the singlet and triplet excited states of pyrazine Weber P, Reimers JR
9842 - 9846	Effects of reduced coordination number for Ca on the electron redistribution during Ca-O-Si bridge bonding from CaO or Ca(OH)(2) and SiO2 Fujiwara Y, Isobe T, Senna M, Tanaka J
9847 - 9852	G2(MP2) molecular orbital study of [H3AlXH3](-) (X = C, Si, and Ge) and H3AlYH3 (Y = N, P, and As) complexes Anane H, Jarid A, Boutalib A
9853 - 9856	Isomerism and novel magnetic order in Mn-13 cluster Nayak SK, Nooijen M, Jena P
9857 - 9863	A novel approach using DFT to explain the selective permeation of small gaseous molecules through Y-type zeolite membrane Chatterjee A, Iwasaki T
9864 - 9871	A theoretical study of the low-lying excited states of trans-and cis-urocanic acid Page CS, Merchan M, Serrano-Andres L, Olivucci M
9872 - 9882	Transferable ab initio intermolecular potentials. 1. Derivation from methanol dimer and trimer calculations Mooij WTM, van Duijneveldt FB, van Duijneveldt-van de Rijdt JGCM, van Eijck BP
9883 - 9890	Transferable ab initio intermolecular potentials. 2. Validation and application to crystal structure prediction Mooij WTM, van Eijck BP, Kroon J
9891 - 9898	Competitive gas-phase solvation of alkali metal ions by water and methanol Nielsen SB, Masella M, Kebarle P
9899 - 9905	Water exchange reactions and hydrolysis of hydrated titanium(III) ions. A density functional theory study Hartmann M, Clark T, van Eldik R
9906 - 9912	Successive change in conformation caused by p-Y groups in 1-(MeSe)-8-(p-YC6H4Se)C10H6: Role of linear Se center dot center dot center dot Se-C three-center-four-electron versus n(Se)center dot center dot center dot n(Se) two-center-four-electron nonbonded interactions Nakanishi W, Hayashi S, Uehara T
9913 - 9920	Benzyne thermochemistry: A benchmark ab initio study Lindh R, Bernhardsson A, Schutz M
9921 - 9924	Electronic structure of the fluorinated fullerene C60F48 Bulusheva LG, Okotrub AV, Boltalina OV
9925 - 9930	Classical trajectory calculations of collision energy dependence of partial penning ionization cross sections for He*(2(3)S)+CH3CN -> He+CH3CN++e(-) Ogawa T, Ohno K
9931 - 9937	Theoretical studies of B2Lin (n=1-4) Srinivas GN, Hamilton TP, Boatz JA, Lammertsma K
9938 - 9942	C-60 as photosensitizing electron-transfer mediator for ion-pair charge-transfer complexes between borate anions and methyl viologen dication Konishi T, Fujitsuka M, Ito O, Toba Y, Usui Y
9943 - 9957	Infrared and ultraviolet spectroscopy of water-containing clusters of indole, 1-methylindole, and 3-methylindole Carney JR, Zwier TS
9958 - 9965	Site dependence of the binding energy of water to indole: Microscopic approach to the side chain hydration of tryptophan Mons M, Dimicoli I, Tardivel B, Piuzzi F, Brenner V, Millie P
9966 - 9983	A critical validation of density functional and coupled-cluster approaches for the calculation of EPR hyperfine coupling constants in transition metal complexes Munzarova M, Kaupp M
9984 - 9994	Protonated ozone: Structure, energetics, and nonadiabatic effects Ceotto M, Gianturco FA, Hirst DM
9995 - 10003	Infrared spectral, structural, and conformational studies of zwitterionic L-tryptophan Cao XL, Fischer G
10004 - 10008	C-H activation at a cationic platinum (II) center: A quantum chemical investigation Heiberg H, Swang O, Ryan OB, Gropen O
10009 - 10014	Quadrupole and octopole moments of heteroaromatic rings Doerksen RJ, Thakkar AJ
10015 - 10020	Binding free energy and extraction selectivity calculations of anisole and phenanthroline spherands Vacek J, Kollman PA