Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.48 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (29 articles)

12555 - 12560	Variation of the Ultrafast Fluorescence Quenching in 2,6-Sulfanyl-Core-Substituted Naphthalenediimides by Electron Transfer Pugliesi I, Krok P, Lochbrunner S, Blaszczyk A, von Hanisch C, Mayor M, Riedle E
12561 - 12572	Molecular Dynamics Simulations of Laser-Induced Incandescence of Soot Using an Extended ReaxFF Reactive Force Field Kamat AM, van Duin ACT, Yakovlev A
12573 - 12584	Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study Yagasaki T, Saito S, Ohmine I
12585 - 12590	Azomethane: Nonadiabatic Photodynamical Simulations in Solution Ruckenbauer M, Barbatti M, Sellner B, Muller T, Lischka H
12591 - 12599	H center dot(H2O)(n) Clusters: Microsolvation of the Hydrogen Atom via Molecular ab Initio Gradient Embedded Genetic Algorithm (GEGA) Alexandrova AN
12600 - 12604	Electronic Spectra of Protonated Benzaldehyde Clusters with Ar and N-2: Effect of pi pi* Excitation on the Intermolecular Potential Patzer A, Zimmermann M, Alata I, Jouvet C, Dopfer O
12605 - 12612	Vibrational Spectra of Benzene Chromium Tricarbonyl and Its Mesityl Analogue: A Study by Neutron Spectroscopy Tomkinson J, Parker SF
12613 - 12621	Determination of Si-29-H-1 Spin-Spin Coupling Constants in Organoalkoxysilanes with Nontrivial Scalar Coupling Patterns Ambati J, Rankin SE
12622 - 12638	Ultrafast Intramolecular Charge Transfer with N-(4-Cyanophenyl)carbazole. Evidence for a LE Precursor and Dual LE plus ICT Fluorescence Galievsky VA, Druzhinin SI, Demeter A, Mayer P, Kovalenko SA, Senyushkina TA, Zachariasse KA
12639 - 12645	Photophysics and Nonlinear Absorption of Cyclometalated 4,6-Diphenyl-2,2'-bipyridyl Platinum(II) Complexes with Different Acetylide Ligands Liu R, Li YJ, Li YH, Zhu HJ, Sun WF
12646 - 12655	Zn2+ Has a Primary Hydration Sphere of Five: IR Action Spectroscopy and Theoretical Studies of Hydrated Zn2+ Complexes in the Gas Phase Cooper TE, O'Brien JT, Williams ER, Armentrout PB
12656 - 12661	Ab Initio Kinetics of Gas Phase Decomposition Reactions Sharia O, Kuklja MM
12662 - 12666	Ion-Pair Structure of Vaporized Ionic Liquid Studied by Matrix-Isolation FTIR Spectroscopy with DFT Calculations: A Case of 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate Akai N, Kawai A, Shibuya K
12667 - 12674	Investigation of the Thermal and Photochemical Reactions of Ozone with 2,3-Dimethyl-2-butene Coleman BE, Ault BS
12675 - 12681	Photophysical Studies of trans-Bis(phenylethynyldiisopropylamidinato)bis(acetato)dimetal Complexes Involving MM Quadruple Bonds Where M = Mo or W Alberding BG, Chisholm MH, Gustafson TL, Liu Y, Reed CR, Turro C
12682 - 12691	Direct Comparison of the Hygroscopic Properties of Ammonium Sulfate and Sodium Chloride Aerosol at Relative Humidities Approaching Saturation Walker JS, Wills JB, Reid JP, Wang LY, Topping DO, Butler JR, Zhang YH
12692 - 12700	Overtone Spectra of 2-Mercaptoethanol and 1,2-Ethanedithiol Miller BJ, Yekutiel M, Sodergren AH, Howard DL, Dunn ME, Vaida V, Kjaergaard HG
12701 - 12708	Structure, Bonding, and Linear Optical Properties of a Series of Silver and Gold Nanorod Clusters: DFT/TDDFT Studies Liao MS, Bonifassi P, Leszczynski J, Ray PC, Huang MJ, Watts JD
12709 - 12715	Computational Insight into the Static and Dynamic Polarizabilities of Aluminum Nanoclusters Alipour M, Mohajeri A
12716 - 12724	Homogeneous Ni Catalysts for H-2 Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree-Fock Correlated Wave-Function Theory Chen ST, Raugei S, Rousseau R, Dupuis M, Bullock RM
12725 - 12730	Tautomerism in 4-Hydroxypyrimidine, S-Methyl-2-thiouracil, and 2-Thiouracil Giuliano BM, Feyer V, Prince KC, Coreno M, Evangelisti L, Melandri S, Caminati W
12731 - 12738	Theoretical Study of the Inner Hydrogen Migration in the beta-Substituted 5,10,15,20-Tetraphenylporphyrins Lu XQ, He Y, Chen J, Wang JF, Shi HC
12739 - 12754	Noncovalent Interactions in Extended Systems Described by the Effective Fragment Potential Method: Theory and Application to Nucleobase Oligomers Ghosh D, Kosenkov D, Vanovschi V, Williams CF, Herbert JM, Gordon MS, Schmidt MW, Slipchenko LV, Krylov AI
12755 - 12758	Structure and Stability of Tube and Cage Ge60H60 Jia JF, Lai YN, Wu HS, Jiao HJ
12759 - 12763	DFT Study of Paramagnetic Adducts of Tris-(8-hydroxyquinoline)aluminum (III) McKenzie I
12764 - 12774	Structure and Dynamics of N,N-Diethyl-N-methylammonium Triflate Ionic Liquid, Neat and with Water, from Molecular Dynamics Simulations Chang TM, Dang LX, Devanathan R, Dupuis M
12775 - 12779	Structural and Electronic Effects on One-Bond Spin-Spin Coupling Constants (1)J(B-N), (1)J(B-H), and (1)J(B-F) for Complexes of Nitrogen Bases with BH3 and Its Fluoro-Substituted Derivatives Del Bene JE, Alkorta I, Elguero J, Mo O, Yanez M
12780 - 12787	Triplet Excited State Distortions in a Pyrazolate Bridged Platinum Dimer Measured by X-ray Transient Absorption Spectroscopy Lockard JV, Rachford AA, Smolentsev G, Stickrath AB, Wang XH, Zhang XY, Atenkoffer K, Jennings G, Soldatov A, Rheingold AL, Castellano FN, Chen LX
12788 - 12793	How Does Dielectric Solvation Affect the Size of an Ion? do Couto PC, Chipman DM