Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.41 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (51 articles)

8377 - 8379	Unexpected substituent effects in face-to-face pi-stacking interactions Sinnokrot MO, Sherrill CD
8380 - 8382	Evidence of a surprising channeling of ring-opening energy to the H-2 product in the H+c-C3H6 -> H-2+C3H5 abstraction reaction Shuman NS, Srivastava A, Picconatto CA, Danese DS, Ray PC, Valentini JJ
8383 - 8387	Femtosecond fluorescence upconversion study of the rotations of perylene and tetracene in hexadecane Xu JH, Shen XH, Knutson JR
8388 - 8395	Interference, dephasing, and coherent control in time-resolved frequency domain two-dimensional vibrational spectra Meyer KA, Wright JC
8396 - 8403	Rates of electronic energy transfer in conformationally flexible bichromophoric macrocyclic complexes: A combined experimental and molecular modeling study Moore EG, Bernhardt PV, Pigliucci A, Riley MJ, Vauthey E
8404 - 8419	Variable-range hopping electron transfer through disordered bridge states: Application to DNA Renger T, Marcus RA
8420 - 8428	Wave packet study of ultrafast relaxation in ice Ih and liquid water. Resonant intermolecular vibrational energy transfer Poulsen JA, Nyman G, Nordholm S
8429 - 8434	Photoinduced electron transfer for pyrromethene dyes Jones G, Kumar S, Klueva O, Pacheco D
8435 - 8443	Kinetics of S(N)1 reactions in binary liquid mixtures near the critical point of solution Kim YW, Baird JK
8444 - 8448	Molecular size effect on the site dependent photofragmentation of N and O K-shell excited CH3CO(CH2)(n)CN (n=0-3) Okada K, Tanimoto S, Morita T, Saito K, Ibuki T, Gejo T
8449 - 8457	Solvation statics and dynamics of coumarin 153 in dioxane-water solvent mixtures Molotsky T, Huppert D
8458 - 8466	Multidimensional hydrogen bond dynamics in salicylaldimine: Coherent nuclear wave packet motion versus intramolecular vibrational energy redistribution Petkovic M, Kuhn O
8467 - 8475	Relaxivity studies on dinitroxide and polynitroxyl functionalized dendrimers: Effect of electron exchange and structure on paramagnetic relaxation enhancement Maliakal AJ, Turro NJ, Bosman AW, Cornel J, Meijer EW
8476 - 8483	Gas-phase reaction of hydrated CO2 center dot- anion radical with CH3I Tsukuda T, Nagata T
8484 - 8491	A comparative study of cation and anion cluster reaction products: The reaction mechanisms of lead clusters with benzene in gas phase Xing XP, Tian ZX, Liu HT, Tang ZC
8492 - 8505	Infrared spectra and DFT calculations for the coinage metal hydrides MH, (H-2)MH, MH2, M2H, M2H-, and (H-2)CuHCu in solid argon, neon, and hydrogen Wang XF, Andrews L, Manceron L, Marsden C
8506 - 8511	Excited singlet (S-1) state resonance Raman analysis of N,N,N',N'-tetramethylbenzidine and N,N,N',N'-tetramethyl-p-phenylenediamine Boilet L, Buntinx G, Lefumeux C, Poizat O
8512 - 8520	Inner-shell excitation spectroscopy of fused-ring aromatic molecules by electron energy loss and X-ray Raman techniques Gordon ML, Tulumello D, Cooper G, Hitchcock AP, Glatzel P, Mullins OC, Cramer SP, Bergmann U
8521 - 8529	The only stable state of O-2(-) is the X (2)Pi(g) ground state and it (still!) has an adiabatic electron detachment energy of 0.45 eV Ervin KM, Anusiewicz W, Skurski P, Simons J, Lineberger WC
8530 - 8538	Gas-phase hydration of U(IV), U(V), and U(VI) dioxo monocations Gresham GL, Gianotto AK, Harrington PD, Cao LB, Scott JR, Olson JE, Appelhans AD, Van Stipdonk MJ, Groenewold GS
8539 - 8546	CIDNP determination of the rate of in-cage deprotonation of the triethylamine radical cation Goez M, Sartorius I
8547 - 8551	Laser flash photolysis study of chlorofluorocarbene Tippmann EM, Platz MS
8552 - 8565	Mechanism generation with integrated pressure dependence: A new model for methane pyrolysis Matheu DM, Dean AM, Grenda JM, Green WH
8566 - 8574	A theoretical study on the kinetics of disproportionation versus association reaction of CH3+C2H5 Mousavipour SH, Homayoon Z
8575 - 8577	Spectroscopy of hydrothermal reactions. 27. Simultaneous determination of hydrolysis rate constants of glycylglycine to glycine and glycylglycine-diketopiperazine equilibrium constants at 310-330 degrees C and 275 bar Li J, Brill TB
8578 - 8583	Infrared laser chemistry of trichlorosilane in view of silicon isotope separation Polianski M, Boyarkin OV, Rizzo TR, Apatin VM, Laptev VB, Ryabov EA
8584 - 8593	Theoretical study of Ni(N-4)(2), Ni(C4H4)(2), and Ni(C2O2)(2) complexes Li QS, Guan J
8594 - 8606	Theoretical calculation of accurate absolute and relative gas- and liquid-phase O-H bond dissociation enthalpies of 2-mono- and 2,6-disubstituted phenols, using DFT/B3LYP Bakalbassis EG, Lithoxoidou AT, Vafiadis AP
8607 - 8617	Thermal rate coefficients via variational transition state theory for the unimolecular decomposition/isomerization of 1-pentyl radical: Ab initio and direct dynamics calculations Jitariu LC, Jones LD, Robertson SH, Pilling MJ, Hillier IH
8618 - 8622	Theoretical investigation of the reaction of Co+ with OCS Liu CB, Zhang DJ, Bian WS
8623 - 8629	Investigation of particle-molecule interactions by use of a dielectric continuum model Sloth M, Jorgensen S, Bilde M, Mikkelsen KV
8630 - 8637	Rules for BN-substitution in BCN-fullerenes. Separation of BN and C domains Kar T, Pattanayak J, Scheiner S
8638 - 8647	Infrared spectrum of p-benzoquinone in water obtained from a QM/MM hybrid molecular dynamics simulation Nonella M, Mathias G, Tavan P
8648 - 8658	Two sulfuric acids in small water clusters Ding CG, Laasonen K, Laaksonen A
8659 - 8664	Quantum chemical studies on photoinduced cis-trans isomerization and intramolecular hydrogen atom transfer of 2'-hydroxychalcone Norikane Y, Nakayama N, Tamaoki N, Arai T, Nagashima U
8665 - 8670	Torsional barriers and correlations between dihedrals in p-polyphenyls Cacelli I, Prampolini G
8671 - 8676	Energy barriers to internal rotation: Hyperconjugation and electrostatic description Sadlej-Sosnowska N
8677 - 8686	Supramolecular chirogenesis in zinc porphyrins: Investigation of zinc-freebase bis-porphyrin, new mechanistic insights, extension of sensing abilities, and solvent effect Borovkov VV, Hembury GA, Yamamoto N, Inoue Y
8687 - 8695	Rapid estimation of enthalpies of formation from Hartree-Fock total energy and partial charges for compounds containing Si, S, and Cl atoms Ruzsinszky A, Csonka GI
8696 - 8704	Simulations of the vibrational relaxation of I-2 in Xe Li SM, Thompson WH
8705 - 8713	Theoretical study of the reaction mechanism and role of water clusters in the gas-phase hydrolysis of SiCl4 Ignatov SK, Sennikov PG, Razuvaev AG, Chuprov LA, Schrems O, Ault BS
8714 - 8722	Electronegativity: Coordination compounds Reed JL
8723 - 8729	Infrared, density-functional theory, and atoms in molecules method studies on conformers of some 2-substituted 1H-pyrroles Dubis AT, Grabowski SJ
8730 - 8736	Theoretical study of the interaction between uracil and hydrogen peroxide Wysokinski R, Michalska D, Bienko DC, Zeegers-Huyskens TS
8737 - 8745	O-17 NMR chemical shifts of polyoxides in gas phase and in solution Wu AA, Cremer D, Gauss J
8746 - 8755	An ab initio, infrared, and Raman investigation of phosphate ion hydration Pye CC, Rudolph WW
8756 - 8762	Ab initio study of the catalytic reactivity of titanosilsesquioxanes and titanosiloxanes Kudo T, Gordon MS
8763 - 8773	Electron-withdrawing effects on metal-olefin bond strengths in Ni(PH3)(2)(CO)(C2XnH4-n), X = F, Cl; n=0-4: A DFT study Schlappi DN, Cedeno DL
8774 - 8778	Stirring-induced oscillations in an excitable chemical system with inhomogeneous reaction dynamics Wang JC
8779 - 8783	Fitting correlated data: A critique of the Guggenheim method and other difference techniques Tellinghuisen J
8784 - 8790	Effect of microenvironment on the fluorescence of 2-hydroxy-substituted Nile Red dye: A new fluorescent probe for the study of micelles Nagy K, Gokturk S, Biczok L