화학공학소재연구정보센터

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