Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.15 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

5035 - 5040	A Theoretical Study of the Low-Lying Electronic States of the AlCCH Radical and Its Ions Liu YJ, Zhao ZX, Song MX, Zhang HX, Sun CC
5041 - 5048	Electronic Spectra of Two Long-Lived Photoproducts: Double-Proton Transfer in 7-Hydroxyquinoline Dimer in a 2-Methyltetrahydrofuran Glass Matrix Nagai Y, Saita K, Sakota K, Nanbu S, Sekine M, Nakata M, Sekiya H
5049 - 5057	Titanium-Doped Nickel Clusters TiNin (n=1-12): Geometry, Electronic, Magnetic, and Hydrogen Adsorption Properties Venkataramanan NS, Sahara R, Mizuseki H, Kawazoe Y
5058 - 5067	Understanding the Dynamics Behind the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor Kazaryan A, Kistemaker JCM, Schafer LV, Browne WR, Feringa BL, Filatov M
5068 - 5075	A Microscopic-Macroscopic Analysis for Mixed Energy Transfer Schemes in Doped Amorphous Solids Ferraro F, Hadad CZ
5076 - 5082	Structure of [M + H - H2O](+) from Protonated Tetraglycine Revealed by Tandem Mass Spectrometry and IRMPD Spectroscopy Bythell BJ, Dain RP, Curtice SS, Oomens J, Steill JD, Groenewold GS, Paizs B, Van Stipdonk MJ
5083 - 5091	Rheological and Fluorescence Investigation of Interaction between Hexadecyltrimethylammonium Bromide and Methylcellulose in the Presence of Hydrophobic Salts Dar AA, Garai A, Das AR, Ghosh S
5092 - 5098	Photocatalytic Degradation of Chlorinated Ethanes in the Gas Phase on the Porous TiO2 Pellets: Effect of Surface Acidity Yamazaki S, Ichikawa K, Saeki A, Tanimura T, Adachi K
5099 - 5103	Noncentrosymmetric Crystals with Marked Nonlinear Optical Properties Ivanova BB, Spiteller M
5104 - 5112	Vibrational Spectroscopy of Intermediates in Methane-to-Methanol Conversion by FeO+ Altinay G, Citir M, Metz RB
5113 - 5118	Whence the Energy Term of the Rate Constant? Zavitsas AA
5119 - 5131	A Solid-State B-11 NMR and Computational Study of Boron Electric Field Gradient and Chemical Shift Tensors in Boronic Acids and Boronic Esters Weiss JWE, Bryce DL
5132 - 5140	Evidence for Self-Association of Nonionic and Other Organic Solutes in Liquid Phases Comprising 1-Octanol and Water Lodge KB, Egyepong EJ
5141 - 5148	Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions Callahan KM, Casillas-Ituarte NN, Roeselova M, Allen HC, Tobias DJ
5149 - 5161	Scaling of Computed Cyano-Stretching Frequencies and IR Intensities of Nitriles, Their Anions, and Radicals Stoyanov SS
5162 - 5170	Electronic Substituent Effects in Bicyclo[1.1.1]pentane and [n]Staffane Derivatives: A Quantum Chemical Study Based on Structural Variation Campanelli AR, Domenicano A, Piacente G, Ramondo F
5171 - 5179	Effect of Bridging Position on the Two-Photon Polymerization Initiating Efficiencies of Novel Coumarin/Benzylidene Cyclopentanone Dyes Xue JQ, Zhao YX, Wu FP, Fang DC
5180 - 5186	Scanning the Potential Energy Surface of Furanosyl Oxocarbenium Ions: Models for Reactive Intermediates in Glycosylation Reactions Rhoad JS, Cagg BA, Carver PW
5187 - 5194	Theoretical Study of Acid-Catalyzed Hydrolysis of Epoxides Muniz RCD, de Sousa SAA, Pereira FD, Ferreira MMC
5195 - 5204	Ab Initio Chemical Kinetics for Singlet CH2 Reaction with N-2 and the Related Decomposition of Diazomethane Xu SC, Lin MC
5205 - 5210	Ab Initio EOM-CCSD Investigation of One-Bond C-C, N-C, and N-N Spin-Spin Coupling Constants in Fluoroazines Del Bene JE, Alkorta I, Elguero J
5211 - 5216	Spectroscopic and DFT Study on the Interaction System of Vanadium with L-Proline in Aqueous Solution Zeng BR, Shen TH, Wu AA, Cai SH, Yu XY, Xu X, Chen Z
5217 - 5221	Electronic Delocalization, Energetics, and Optical Properties of Tripalladium Ditropylium Halides, [Pd-3(C7H7)(2)X-3](1-) (X = Cl-, Br-, and I-) Munoz-Castro A, Arratia-Perez R
5222 - 5229	Investigating the Nature of Noble Gas-Copper Bonds by the Quantum Theory of Atoms in Molecules Rodrigues EFF, de Sa EL, Haiduke RLA
5230 - 5230	Reversal of the Relative Stability of the Isomeric Radicals HSO and HOS on Hydration and Their Reactions with Ozone (vol 114, pg 5230, 2010) Steudel R, Steudel Y