Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.109, No.38 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

8443 - 8446	Theoretical study toward understanding ultrafast internal conversion of excited 9H-adenine Chen H, Li SH
8447 - 8450	Quantitative mass spectrometric identification of isomers applying coherent laser control Dela Cruz JM, Lozovoy VV, Dantus M
8451 - 8458	Intramolecular electron and energy transfer in an axial ZnP-pyridylfullerene complex as studied by X- and W-band time-resolved EPR spectroscopy Galili T, Regev A, Berg A, Levanon H, Schuster DI, Mobius K, Savitsky A
8459 - 8470	Quasiclassical trajectory study of the F+CH4 reaction dynamics on a dual-level interpolated potential energy surface Castillo JF, Aoiz FJ, Banares L, Martinez-Nunez E, Fernandez-Ramos A, Vazquez S
8471 - 8480	Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: Experiments and calculations on a new potential energy surface Cappelletti D, Bartolomei M, Sabido M, Pirani F, Blanquet G, Walrand J, Bouanich JP, Thibault F
8481 - 8486	Infrared spectra and ab initio calculations for the Cl--(CH4)(n) (n=1-10) anion clusters Loh ZM, Wilson RL, Wild DA, Bieske EJ, Gordon MS
8487 - 8496	Conformation-specific spectroscopy of 4-phenyl-1-butyne and 5-phenyl-1-pentyne Selby TM, Zwier TS
8497 - 8506	Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne Selby TM, Das A, Bekele T, Lee HD, Zwier TS
8507 - 8514	Asymmetric top rotors in electric fields: Influence of chaos and collisions in molecular beam deflection experiments El Rahim MA, Antoine R, Broyer M, Rayane D, Dugourd P
8515 - 8519	Canard explosion and coherent biresonance in the rate oscillation of CO oxidation on platinum surface Zhao G, Hou ZH, Xin HW
8520 - 8525	Photochemical production and release of gaseous NO2 from nitrate-doped water ice Boxe CS, Colussi AJ, Hoffmann MR, Murphy JG, Wooldridge PJ, Bertram TH, Cohen RC
8526 - 8536	Oxidation of hydroxylamine by nitrous and nitric acids. Model development from first principle SCRF calculations Raman S, Ashcraft RW, Vial M, Klasky ML
8537 - 8547	Computational study of the ion-molecule reactions involving fluxional cations: CH4++H-2 -> CH5++H and isotope effect Wang BS, Hou H
8548 - 8552	Ultrafast spectroscopy of the solvent dependence of electron transfer in a perylenebisimide dimer Holman MW, Yan P, Adams DM, Westenhoff S, Silva C
8553 - 8559	Proton exchange and transesterification reactions of acetate enolates with alcohols in the gas phase Chen X, Brauman JI
8560 - 8567	Mechanistic insights into the Bazarov synthesis of urea from NH3 and CO2 using electronic structure calculation methods Tsipis CA, Karipidis PA
8568 - 8571	Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)(2)] Zein S, Matouzenko GS, Borshch SA
8572 - 8578	Analysis of charge-transfer absorption and emission spectra on an absolute scale: Evaluation of free energies, matrix elements, and reorganization energies Levy D, Arnold BR
8579 - 8586	Theoretical investigation of uranyl dihydroxide: Oxo ligand exchange, water catalysis, and vibrational spectra Hratchian HP, Sonnenberg JL, Hay PJ, Martin RL, Bursten BE, Schlegel HB
8587 - 8593	Bowls, balls and sheets of boric acid clusters: The role of pentagon and hexagon motifs Elango M, Parthasarathi R, Subramanian V, Sathyamurthy N
8594 - 8603	Small carbon clusters doped with early transition metals: A theoretical study of ScCn, ScCn+, and ScCn- (n=1-8) open-chain clusters Redondo P, Barrientos C, Largo A
8604 - 8616	Near-infrared absorption in symmetric squarylium and croconate dyes: A comparative study using symmetry-adapted cluster-configuration interaction methods Prabhakar C, Yesudas K, Chaitanya GK, Sitha S, Bhanuprakash K, Rao VJ
8617 - 8623	Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: A time-dependent density functional study Mort BC, Autschbach J
8624 - 8631	Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: A comparative study with the resonance model Mandado M, Van Alsenoy C, Mosquera RA
8632 - 8636	Structure, strain, and degenerate rearrangement of tricyclo[2.1.0.0(1,3)]pentasilane and related molecules Takeuchi K, Uemura D, Inagaki S
8637 - 8641	Molecular dynamics study of anisotropic translational and rotational diffusion in liquid benzene Schwartz M, Duan D, Berry RJ
8642 - 8645	Isotopic self-exchange reactions of water: Evaluation of the rule of the geometric mean in liquid-vapor isotope partitioning Polyakov VB, Horita J, Cole DR
8646 - 8652	Dependency of the delocalized charge density and of the structural parameters on the pseudorotational parameter phi in 1,1-dicyanocyclopentane Typke V, Dakkouri M
8653 - 8660	Synthesis and multitopic complex formation of a photochromic bis(crown ether) based on benzobis(thiazole) Fedorov YV, Fedorova O, Schepel N, Alfimov M, Turek AM, Saltiel J