Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.34 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (45 articles)

7647 - 7650	Raman studies of the solution structure of univalent electrolytes in water Dillon SR, Dougherty RC
7651 - 7654	Polar solvation dynamics in the femtosecond evolution of two-dimensional Fourier transform spectra Hybl JD, Yu A, Farrow DA, Jonas DM
7655 - 7663	Excited-state intramolecular proton transfer in 2-(2'-tosylaminophenyl)benzimidazole Fahrni CJ, Henary MM, VanDerveer DG
7664 - 7670	Dielectric relaxation behavior of glycine betaine in aqueous solution Shikata T
7671 - 7679	Dissipative laser-driven hydrogen-bond dynamics in deuterated o-phthalic acid monomethylester Kuhn O
7680 - 7689	Twisted intramolecular charge transfer states in 2-arylbenzotriazoles: Fluorescence deactivation via intramolecular electron transfer rather than proton transfer Maliakal A, Lem G, Turro NJ, Ravichandran R, Suhadolnik JC, DeBellis AD, Wood MG, Lau J
7690 - 7695	Torsional potential of methyl group in m-tolunitrile-H2O and m-tolunitrile-N2O complexes studied by laser-induced fluorescence and hole-burning spectroscopies Takayanagi M, Negishi D, Sakurai Y
7696 - 7702	Infrared spectra of the novel Si2H2 and Si2H4 species and the SiH1,2,3 intermediates in solid neon, argon, and deuterium Andrews L, Wang XF
7703 - 7706	Hyperfine interactions in HSiCl Lin W, Novick SE, Fukushima M, Jager W
7707 - 7713	Conformations of 1,1-dimethoxyethane: Matrix isolation infrared and ab initio studies Venkatesan V, Sundararajan K, Viswanathan KS
7714 - 7721	Two-dimensional penning ionization electron spectroscopy of monobromothiophenes: Orbital reactivity and anisotropic interaction with He*(2(3)S) metastable atom Tian SX, Kishimoto N, Ohno K
7722 - 7727	Infrared action spectroscopy and inelastic recoil dynamics of the CH4-OD reactant complex Tsiouris M, Pollack IB, Lester MI
7728 - 7735	Vibrational energy distributions of NH2((X)over-tilde(2)B(1)) fragments generated in the photolysis of NH3 at 193 nm: Application of kinetic analysis on vibrational cascade Yamasaki K, Watanabe A, Kakuda T, Itakura A, Fukushima H, Endo M, Maruyama C, Tokue I
7736 - 7742	Photophysical and lasing properties of new analogs of the boron-dipyrromethene laser dye PM567 in liquid solution Costela A, Garcia-Moreno I, Gomez C, Sastre R, Amat-Guerri F, Liras M, Arbeloa FL, Prieto JB, Arbeloa IL
7743 - 7747	UV photolysis and thermal annealing of H2S, HI, and H2CO in solid Xe: Electronic absorption spectra of the products Ahokas J, Kunttu H, Khriachtchev L, Pettersson M, Rasanen M
7748 - 7754	Rate constant for the reaction of Cl-2(aq) with OH- Gershenzon M, Davidovits P, Jayne JT, Kolb CE, Worsnop DR
7755 - 7763	Wavelength-dependent photolysis of n-butyraldehyde and i-butyraldehyde in the 280-330-nm region Chen YQ, Zhu L, Francisco JS
7764 - 7768	Ionization of nitric acid on ice Pursell CJ, Everest MA, Falgout ME, Sanchez DD
7769 - 7778	Quantum chemistry computation of rate constants for reactions involved in the first aromatic ring formation Cavallotti C, Rota R, Carra S
7779 - 7787	Kinetics and mechanism of the gas-phase reaction of Cl atoms and OH radicals with fluorobenzene at 296 K Andersen MPS, Nielsen OJ, Hurley MD, Wallington TJ
7788 - 7794	Gas-phase reactions of U+ and U2+ with O-2 and H2O in a quadrupole ion trap Jackson GP, King FL, Goeringer DE, Duckworth DC
7795 - 7806	Calculation of electron transfer rate constants from emission spectra in Re(I) chromophore-quencher complexes Claude JP, Omberg KM, Williams DS, Meyer TJ
7807 - 7812	Quantum/classical investigation of amide protonation in aqueous solution Zahn D, Schmidt KF, Kast SM, Brickmann J
7813 - 7819	An experimental electron density investigation of squarate and croconate dianions Ranganathan A, Kulkarni GU
7820 - 7827	An ab initio quantum mechanical study of hydrogen-bonded complexes of biological interest Huang N, MacKerell AD
7828 - 7833	Interactions of water with mono- and diamino derivatives of N,N'-dimethyluracil Shishkin OV, Sukhanov OS, Leszczynski J
7834 - 7843	Stereoelectronic contributions to long-range H-1-H-1 coupling constants Sproviero EM, Burton G
7844 - 7849	The Markovnikov regioselectivity rule in the light of site activation models Aizman A, Contreras R, Galvan M, Cedillo A, Santos JC, Chamorro E
7850 - 7857	Reactions of HOCl plus HCl plus nH(2)O and HOCl plus HBr plus nH(2)O Voegele AF, Tautermann CS, Loerting T, Liedl KR
7858 - 7867	Density functional theory vibrational frequencies of amides and amide dimers Watson TM, Hirst JD
7868 - 7875	Theoretical study on the decomposition of N2O over alkaline earth metal-oxides: MgO-BaO Karlsen EJ, Nygren MA, Pettersson LGM
7876 - 7886	Solid-state Nb-93, F-19, and Cd-113 nuclear magnetic resonance study of niobium oxyfluorides: Characterization of local distortions and oxygen/fluorine ordering Du LS, Schurko RW, Kim N, Grey CP
7887 - 7894	The electronegativity equalization method I: Parametrization and validation for atomic charge calculations Bultinck P, Langenaeker W, Lahorte P, De Proft F, Geerlings P, Waroquier M, Tollenaere JP
7895 - 7901	The electronegativity equalization method II: Applicability of different atomic charge schemes Bultinck P, Langenaeker W, Lahorte P, De Proft F, Geerlings P, Van Alsenoy C, Tollenaere JP
7902 - 7910	Reaction path sampling of the reaction between iron(II) and hydrogen peroxide in aqueous solution Ensing B, Baerends EJ
7911 - 7914	Molecular resistance in a molecular diode: A case study of the substituted phenylethynyl oligomer Majumder C, Briere T, Mizuseki H, Kawazoe Y
7915 - 7920	Possible photoinduced spin transitions in bis(phenylmethylenyl)[2.2]paracyclophanes. A spin-orbit coupling study Kondo M, Shiota Y, Yoshizawa K
7921 - 7926	On the electronic structure of bis(eta(5)-cyclopentadienyl) titanium Freitag MA, Gordon MS
7927 - 7936	An assessment of the performance of high-level theoretical procedures in the computation of the heats of formation of small open-shell molecules Henry DJ, Parkinson CJ, Radom L
7937 - 7949	Thermodynamic properties of ketenes: Group additivity values from quantum chemical calculations Sumathi R, Green WH
7950 - 7957	Theoretical study of the quadrupolarity of carbodiimide Glaser R, Lewis M, Wu ZY
7958 - 7970	Conformational control of photoinduced charge separation within phenothiazine-pyrene dyads Stockmann A, Kurzawa J, Fritz N, Acar N, Schneider S, Daub J, Engl R, Clark T
7971 - 7981	Cooperative counterion-polyion interactions in polyelectrolyte, chain dynamics: NMR and quantum-chemical study of locally collapsed state in dilute poly(N-diallyldimethylammonium chloride) in NaCl/D2O solutions Kriz J, Dybal J, Kurkova D
7982 - 7987	Determination of the Gibbs free energy of gas replacement in SI clathrate hydrates by molecular simulation Yezdimer EM, Cummings PT, Chialvo AA
7988 - 7992	H-2 elimination from hydrated aluminum clusters: Acid-base reaction mediated by intracluster proton transfer Reinhard BM, Niedner-Schatteburg G