Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.102, No.52 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

10573 - 10578	Direct determination of NMR correlation times: Analysis of the Cd-CyDTA complex by the relaxation rate ratio method Dixon AM, Larive CK, Nantsis EA, Carper WR
10579 - 10587	Transition metal ion induced fluorescence enhancement of 4-(N,N-dimethylethylenediamino)-7-nitrobenz-2-oxa-1,3-diazole Ramachandram B, Samanta A
10588 - 10598	Ultrafast polyene dynamics in solution: The conformational relaxation and thermalization of highly excited cis-1,3,5-hexatriene as a function of initial conformation and solvent Anderson NA, Pullen SH, Walker LA, Shiang JJ, Sension RJ
10599 - 10607	Calculations of X-ray emission spectra of molecules and surface adsorbates by means of density functional theory Triguero L, Pettersson LGM, Agren H
10608 - 10613	Ionization of aniline in nonpolar hydrocarbon solvents as studied by two-photon ionization spectra Ogawa T, Ogawa T, Nakashima K
10614 - 10619	Pressure dependent vibrational Fermi resonance in liquid CH3OH and CH2Cl2 Devendorf GS, Hu MHA, Ben-Amotz D
10620 - 10629	Lifetime measurements of the collision-free slow fluorescence from glyoxal S1T1 gateway levels in a beam Gorling C, Jalviste E, Ohta N, Ottinger C
10630 - 10635	Aromatic-rare gas complexes: The microwave spectrum and structure of the fluorobenzene-neon dimer Wilson RJ, Peebles SA, Antolinez S, Sanz ME, Kuczkowski RL
10636 - 10646	Complex kinetics of desorption and diffusion. Field reversal study of K excited-state desorption from graphite layer surfaces Holmlid L
10647 - 10654	Chemical bonding in XeF2, XeF4, KrF2, KrF4, RnF2, XeCl2, and XeBr2: From the gas phase to the solid state Liao MS, Zhang QE
10655 - 10670	Thermal decomposition of 2,5-dimethylfuran. Experimental results and computer modeling Lifshitz A, Tamburu C, Shashua R
10671 - 10681	Kinetics and mechanism of the gas-phase reaction of Cl atoms with benzene Sokolov O, Hurley MD, Wallington TJ, Kaiser EW, Platz J, Nielsen OJ, Berho F, Rayez MT, Lesclaux R
10682 - 10688	Rate constants and thermodynamic parameters of rotation of axial ligands in a bisligated ferric tetramesitylporphyrinate complex measured from the temperature dependence of H-1 transverse relaxation rates Momot KI, Walker FA
10689 - 10696	Reactive uptake of ClNO2 on aqueous bromide solutions Fickert S, Helleis F, Adams JW, Moortgat GK, Crowley JN
10697 - 10702	Energy disposal in the photodissociation of Co(CO)(3)NO near 225 nm Bartz JA, Friday TO, Goodman BR, Kooi SE, Blair RG, Polik WF
10703 - 10709	High-pressure study on the quenching mechanism by oxygen of the lowest triplet state in solution Okamoto M, Tanaka F, Hirayama S
10710 - 10714	Ab initio study of cyclobutadieno-p-benzoquinones: Kekule isomerization or not? Maksic ZB, Petanjek I, Eckert-Maksic M, Novak I
10715 - 10722	Reaction-path and dual-level dynamics calculations of the CH3F+OH reaction Espinosa-Garcia J, Coitino EL, Gonzalez-Lafont A, Lluch JM
10723 - 10727	Kinetics and mechanism of benzene derivative degradation with Fenton's reagent in aqueous medium studied by MIMS Augusti R, Dias AO, Rocha LL, Lago RM
10728 - 10735	Self-consistent reaction field calculations of nonequilibrium solvent effects on proton transfer processes through low-barrier hydrogen bonds Ruiz-Lopez MF, Oliva A, Tunon I, Bertran J
10736 - 10745	Ground-state tautomerism and excited-state proton-transfer processes in 4,5-dimethyl-2-(2 ＇-hydroxyphenyl)imidazole in solution: Fluorescence spectroscopy and quantum mechanical calculations Brauer M, Mosquera M, Perez-Lustres JL, Rodriguez-Prieto F
10746 - 10753	Gas-phase chemistry of curium: Reactions of Cm+ and CmO+ with alkenes, acetonitrile, and hexafluoropropene Gibson JK, Haire RG
10754 - 10762	Reactions of CO and CO2 with gas-phase Mo+, MoO+, and MoO2+ Sievers MR, Armentrout PB
10763 - 10767	Electronic structure and thermodynamic properties of the molecule GeC from all-electron ab initio calculations and Knudsen effusion mass spectrometric measurements Shim I, Baba MS, Gingerich KA
10768 - 10776	Oxygen-bound fluorine (O-F): Ab initio investigations of the hypofluorous acid dimer Berski S, Lundell J, Latajka Z, Leszczynski J
10777 - 10786	Ab initio studies of the isomerization and decomposition reactions of the 1-butoxy radical Lendvay G, Viskolcz B
10787 - 10790	Heat of formation of the tert-butyl radical Smith BJ, Radom L
10791 - 10797	Ab initio study of the effect of solvation on the electronic spectra of formamide and N-methylacetamide Besley NA, Hirst JD
10798 - 10804	Theoretical analysis of the unimolecular gas-phase decompositions of the propane molecular ion McAdoo DJ, Olivella S, Sole A
10805 - 10812	Unimolecular decomposition of formaldehyde: H2CO -> H-2+CO. Part I: Ab initio reaction path and variational transition state rate constants Martins LMMD, Arbilla G, da Silva EC
10813 - 10817	A CCSD(T) study of the relative stabilities of cytosine tautomers Kobayashi R
10818 - 10827	A new intermolecular polarizable potential for a formaldehyde dimer. Application to liquid simulations Hermida-Ramon JM, Rios MA
10828 - 10833	Theoretical study on the molecular distortions in [2.2]paracyclophane and cyclobutane Henseler D, Hohlneicher G
10834 - 10842	Three-center systems for energy pooling: Quantum electrodynamical theory Jenkins RD, Andrews DL
10843 - 10850	Two-state model of antiaromaticity: The low lying singlet states Zilberg S, Haas Y
10851 - 10859	Two-state model of antiaromaticity: The triplet state. Is Hund's rule violated? Zilberg S, Haas Y
10860 - 10868	Quantum chemical calculations on alpha-substituted ethyl cations: A comparison between B3LYP and post-HF methods van Alem K, Sudholter EJR, Zuilhof H
10869 - 10879	UV and photoelectron spectrum of carbonyl fluoride, F2CO. Multireference configuration interaction studies in C-2 nu symmetry Grein F
10880 - 10888	Isomerization of pyrrole. Quantum chemical calculations and kinetic modeling Dubnikova F, Lifshitz A
10889 - 10899	Simultaneous adjustment of experimentally based enthalpies of formation of CF3X, X = nil, H, Cl, Br, I, CF3, CN, and a probe of G3 theory Ruscic B, Michael JV, Redfern PC, Curtiss LA, Raghavachari K
10900 - 10902	Improvement of multiconfigurational wave functions and energies by correlation energy functionals Moscardo F, Munoz-Fraile F, Perez-Jimenez AJ, Perez-Jorda JM, San-Fabian E
10903 - 10911	The three isomers of protonated ethane, C2H7+ East ALL, Liu ZF, McCague C, Cheng K, Tse JS
10912 - 10915	Valence states in molecules. 3. Transferable vibrational force constants front homonuclear data von Szentpaly L
10916 - 10920	Excited-state properties of trichromophoric dye molecules Menzel R, Thiel E