Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.12 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

3061 - 3080	Chemical Dynamics Simulations of X- + CH3Y -> XCH3 + Y- Gas-Phase S(N)2 Nucleophilic Substitution Reactions. Nonstatistical Dynamics and Nontraditional Reaction Mechanisms Manikandan P, Zhang JX, Hase WL
3081 - 3088	Co+-Assisted Decomposition of h(6)-Acetone and d(6)-Acetone: Acquisition of Reaction Rate Constants and Dynamics of the Dissociative Mechanism Villarroel OJ, Laboren IE, Bellert DJ
3089 - 3093	Substituent Effects on the Nonradical Reactivity of 4-Dehydropyridinium Cation Jankiewicz BJ, Gao JS, Reece JN, Vinueza NR, Narra P, Nash JJ, Kenttamaa HI
3094 - 3102	Ion Size Influence on the Ar Solvation Shells of M+-C6F6 Clusters (M = Na, K, Rb, Cs) Alberti M, Lago NF
3103 - 3109	Quantification of Local Hydration at the Surface of Biomolecules Using Dual-Fluorescence Labels Pivovarenko VG, Zamotaiev OM, Shvadchak VV, Postupalenko VY, Klymchenko AS, Mely Y
3110 - 3117	Radical Cations of Branched Alkanes in Solutions: Time-Resolved Magnetic Field Effect and Quantum Chemical Studies Potashov PA, Borovkov VT, Shchegoleva LN, Gritsan NP, Bagryansky VA, Molin YN
3118 - 3123	Photoelectron Spectroscopy of Anilinide and Acidity of Aniline Wren SW, Vogelhuber KM, Ichino T, Stanton JF, Lineberger WC
3124 - 3136	Vapor Phase Infrared Spectroscopy and Ab Initio Fundamental Anharmonic Frequencies of Ammonia Borane Sams RL, Xantheas SS, Blake TA
3137 - 3147	Time-Resolved Fourier Transform Emission Spectroscopy of He/CH4 in a Positive Column Discharge Civis S, Kubelik P, Ferus M
3148 - 3155	Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of trans-Hexatriene-1-C-13(1): A Semiexperimental Equilibrium Structure for the C-6 Backbone of trans-Hexatriene Craig NC, Tian HF, Blake TA
3156 - 3162	Vibrationally Resolved LIF Spectrum of Tertiary Methylcyclohexoxy Radical Wu QJ, Lang GT, Zu L, Fang WH
3163 - 3171	Structural and Thermochemical Chemisorption of CO2 on Li4+x(Si1-xAlx)O-4 and Li4-x(Si1-xVx)O-4 Solid Solutions Ortiz-Landeros J, Gomez-Yanez C, Palacios-Romero LM, Lima E, Pfeiffer H
3172 - 3181	Mechanistic and Kinetic Study of CF3CH=CH2 + OH Reaction Zhang YJ, Sun JY, Chao K, Sun H, Wang F, Tang SW, Pan XM, Zhang JP, Wang RS
3182 - 3193	Structure and Dynamics of P,N-Containing Heterocycles and Their Metal Complexes in Solution Latypov SK, Strelnik AG, Ignatieva SN, Hey-Hawkins E, Balueva AS, Karasik AA, Sinyashin OG
3194 - 3201	Effects of Ethynyl Substituents on the Electronic Structure of Cyclobutadiene Thompson SJ, Emmert FL, Slipchenko LV
3202 - 3205	Electron Energy Loss Spectra and Overestimation of Inelastic Mean Free Paths in Many-Pole Models Bourke JD, Chantler CT
3206 - 3214	Participation of Xenon Guest in Hydrogen Bond Network of beta-Hydroquinone Crystal Ilczyszyn M, Selent M, Ilczyszyn MM
3215 - 3223	Density Functional Theory and ab Initio Studies of the Structure and Energetics of Digallium Tetraoxide, Ga2O4, in the Gas Phase Seeburrun N, Abdallah HH, Ramasami P
3224 - 3236	Characterization of the Temporary Anion States on Perfluoroalkanes via Stabilized Koopmans' Theorem in Long-Range Corrected Density Functional Theory Cheng HY, Chen CW, Huang CH
3237 - 3246	Superior Performance of Range-Separated Hybrid Functionals for Describing sigma* <- sigma UV-Vis Signatures of Three-Electron Two-Center Anions Dupont C, Dumont E, Jacquemin D
3247 - 3258	Potential Energy Surface and Matrix Isolation FT-IR Study of Isoleucine Boeckx B, Nelissen W, Maes G
3259 - 3266	A (T-P) Phase Diagram of Hydrogen Storage on (N4C3H)(6)Li-6 Das R, Chattaraj PK
3267 - 3273	Computational Study on Reaction Mechanisms and Kinetics of RNCN (R = H, F, Cl, Br, CH3) Radicals with NO Chen HL, Wu SK, Lu YH
3274 - 3281	Thermal Rearrangements of 1-Ethynyl-2-methylcyclopropane: A Computational Study Bozkaya U, Ozkan I
3282 - 3289	On the Gas-Phase Co+-Mediated Oxidation of Ethane by N2O: A Mechanistic Study Zhao LM, Lu XQ, Li YY, Chen J, Guo WY
3290 - 3294	CAl2Be32- and Its Salt Complex LiCAl2Be3-: Anionic Global Minima with Planar Pentacoordinate Carbon Wu YB, Duan Y, Lu HG, Li SD
3295 - 3303	Electronic Structure and Reactivity of Cobalt Oxide Dimers and Their Hexacarbonyl Complexes: A Density Functional Study Uzunova EL, Mikosch H
3304 - 3311	On the Photomagnetism of Nitronyl Nitroxide, Imino Nitroxide, and Verdazyl-Substituted Azobenzene Datta SN, Pal AK, Hansda S, Latif IA