Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.106, No.6 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

855 - 859	First spectroscopic observation of gas-phase HOONO Nizkorodov SA, Wennberg PO
860 - 877	Chemical reactions of nitrogen oxides on the surface of oxide, carbonate, soot, and mineral dust particles: Implications for the chemical balance of the troposphere Grassian VH
878 - 883	Measuring intramolecular charge transfer via coherent generation of THz radiation Beard MC, Turner GM, Schmuttenmaer CA
884 - 892	Evaluation of electronic coupling in a donor-bridge-acceptor molecule: A fluorescence polarization anisotropy investigation Cooley LF, Han H, Zimmt MB
893 - 896	Orientation dependence in C-60 surface-impact collisions Tang QH, Runge K, Cheng HP, Harris FE
897 - 905	Electroabsorption spectroscopic studies of dipolar ruthenium(II) complexes possessing large quadratic nonlinear optical responses Coe BJ, Harris JA, Brunschwig BS
906 - 910	Infrared spectra of size selected Cl--(D-2)(n) and F--(D-2)(n) anion clusters Wild DA, Weisser PS, Loh ZM, Bieske EJ
911 - 924	Semiclassical assignment of the vibrational spectrum of N2O Waalkens H, Jung C, Taylor HS
925 - 932	A new cluster pair method of determining absolute single ion solvation energies demonstrated in water and applied to ammonia Tuttle TR, Malaxos S, Coe JV
933 - 937	Energy, enthalpy, and volume change of hydrogen-bond formation in large, charged, water vapor clusters, H+(H2O)(c), determined from mass spectral distributions Walrafen GE, Chu YC, Carlon HR
938 - 944	Absolute rate constants for collisional vibrational relaxation in dense vibrational regions of S-1 p-difluorobenzene Stone TA, Parmenter CS
945 - 951	Kinetics of the gas-phase reaction of some unsaturated alcohols with the nitrate radical Noda J, Nyman G, Langer S
952 - 961	Density functional theory study for the cycloaddition of 1,3-butadienes with dimethyl acetylenedicarboxylate. Polar stepwise vs concerted mechanisms Domingo LR, Arno M, Contreras R, Perez P
962 - 972	Effects of vibrational frequency correlations on two-dimensional infrared spectra Ge NH, Zanni MT, Hochstrasser RM
973 - 981	Rate constants for the gas-phase reactions of silylene with methanol, deuterated methanol, and water Alexander UN, King KD, Lawrance WD
982 - 987	Adsorption of atmospheric gases at the air-water interface. 4: The influence of salts Demou E, Donaldson DJ
988 - 996	Propagation failure in an array of Oregonator cells and irreversible thermodynamics of an assembly of discrete systems Barragan D, Eu BC
997 - 1003	Negative ion chemistry of ozone in the gas phase Williams S, Campos MF, Midey AJ, Arnold ST, Morris RA, Viggiano AA
1004 - 1010	Photodissociation of ClONO2 at 235 nm: Final product yields and energy partitioning Zou P, Park J, Schmitz BA, Nguyen T, North SW
1011 - 1018	A theoretical investigation of excited-state properties of the adenine-uracil base pair Shukla MK, Leszczynski J
1019 - 1025	On the nature of C-Li bonding in lithiated hydrocarbons and lithiocarbons Ponec R, Roithova J, Girones X, Lain L, Torre A, Bochicchio R
1026 - 1034	Isomerization of 2,3-dihydrofuran and 5-methyl-2,3-dihydrofuran: Quantum chemical and kinetics calculations Dubnikova F, Lifshitz A
1035 - 1045	Theoretical study on the structure, stability, and tautomerism of 2-aza-21-carba-23-X(thia or oxa)-porphyrin isomers Joo Y, Baeck KK, Lee CH
1046 - 1053	Structure of a metal ion binding site in beta-lactamase: Quantum mechanical study of the influence of hydrogen-bonding network and backbone constraints Olsen L, Antony J, Hemmingsen L, Mikkelsen KV
1054 - 1059	G3(MP2) calculations of enthalpies of hydrogenation, isomerization, and formation of [3]-radialene and related compounds Rogers DW, McLafferty FJ
1060 - 1066	Theoretical investigation of F-19 NMR chemical shielding of alkaline-earth-metal and alkali-metal fluorides Cai SH, Chen Z, Wan HL
1067 - 1073	Absolute heat of formation and singlet-triplet splitting for HCCN Poutsma JC, Upshaw SD, Squires RR, Wenthold PG
1074 - 1080	A flexible all-atom model of dimethyl sulfoxide for molecular dynamics simulations Strader ML, Feller SE
1081 - 1087	A high-level theoretical study on the gas-phase identity methyl transfer reactions Lee I, Kim CK, Sohn CK, Li HG, Lee HW
1088 - 1099	Phosphorus NMR chemical shifts with self-interaction free, gradient-corrected DFT Patchkovskii S, Ziegler T
1100 - 1106	Self-association of formamide in carbon tetrachloride solutions: An experimental and quantum chemistry vibrational and thermodynamic study Marigliano ACG, Varetti EL