Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.44 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (31 articles)

11017 - 11020	Basis Set Superposition Error Effects Cause the Apparent Nonexistence of the Ethene/Benzenium Ion Complex on the MP2 Potential Energy Surface van Mourik T
11021 - 11035	Model Potential Approaches for Describing the Interaction of Excess Electrons with Water Clusters: Incorporation of Long-Range Correlation Effects Sommerfeld T, DeFusco A, Jordan KD
11036 - 11043	Ionization of Amino-, Thio- and Hydroxy-naphtalenes via Free (Unhindered) Electron Transfer Baidak A, Naumov S, Hermann R, Brede O
11044 - 11051	Excited States of Porphyrin Macrocycles Moroni L, Gellini C, Salvi PR, Marcelli A, Foggi P
11052 - 11060	Energetics, Structure, and Electron Detachment Spectra of Calcium and Zinc Neutral and Anion Clusters: A Density Functional Theory Study Dai Y, Blaisten-Barojas E
11061 - 11066	Experimental and Theoretical Studies of (CsI)(n)Cs+ Cluster Ions Produced by 355 nm Laser Desorption Ionization Fernandez-Lima FA, Becker C, Gillig K, Russell WK, Nascimento MAC, Russell DH
11067 - 11077	Reactions of Sulfur Dioxide with Neutral Vanadium Oxide Clusters in the Gas Phase. II. Experimental Study Employing Single-Photon Ionization He SG, Xie Y, Dong F, Heinbuch S, Jakubikova E, Rocca JJ, Bernstein ER
11078 - 11087	Experimental and Theoretical Electron Momentum Spectroscopic Study of the Valence Electronic Structure of Tetrahydrofuran under Pseudorotation Ning CG, Huang YR, Zhang SF, Deng JK, Liu K, Luo ZH, Wang F
11088 - 11092	Silver-Carbon Cluster AgC3: Structure and Infrared Frequencies Wang Y, Szczepanski J, Vala M
11093 - 11098	2-Naphthyl(carbomethoxy)carbene Revisited: Combination of Ultrafast UV-vis and Infrared Spectroscopic Study Zhang YL, Kubicki J, Wang J, Platz MS
11099 - 11114	13C, O-18, and D Fractionation Effects in the Reactions of CH3OH Isotopologues with Cl and OH Radicals Feilberg KL, Gruber-Stadler M, Johnson MS, Muhlhauser M, Nielsen CJ
11115 - 11123	Single Conformation Spectroscopy of a Flexible Bichromophore: 3-(4-Hydroxyphenyl)-N-benzylpropionamide Baquero EE, James WH, Choi TH, Jordan KD, Zwier TS
11124 - 11141	Vibrational Spectra of Triiodomesitylene: Combination of DFT Calculations and Experimental Studies. Effects of the Environment Meinnel JJ, Boudjada A, Boucekkine A, Boudjada F, Moreac A, Parker SF
11142 - 11152	Influence of Laser Pulse Parameters on Dynamical Processes during Azobenzene Photoisomerization Sauer P, Allen RE
11153 - 11158	Photodissociation of Molecular Bromine in Solid H-2 and D-2: Spectroscopy of the Atomic Bromine Spin-Orbit Transition Kettwich SC, Paulson LO, Raston PL, Anderson DT
11159 - 11164	Measurement of Carbon-Proton Dipolar Couplings in Liquid Crystals Using DAPT Jayanthi S, Madhu PK, Ramanathan KV
11165 - 11171	First-Order Transverse Phonon Deformation Potentials of Tetragonal Perovskites Deluca M, Pezzotti G
11172 - 11177	Microwave-Assisted Rapid Photocatalytic Degradation of Malachite Green in TiO2 Suspensions: Mechanism and Pathways Ju YM, Yang SG, Ding YC, Sun C, Zhang AQ, Wang LH
11178 - 11189	Matrix-Isolated Diglycolic Anhydride: Vibrational Spectra and Photochemical Reactivity Jarmelo S, Reva ID, Lapinski L, Nowak MJ, Fausto R
11190 - 11197	DFT/TDDFT Studies on the Electronic Structures and Spectral Properties of Rhenium(I) Pyridinybenzoimidazole Complexes Li XN, Liu XJ, Wu ZJ, Zhang HJ
11198 - 11206	Thermodynamic and Structural Features of Aqueous Ce(III) Dinescu A, Clark AE
11207 - 11212	Ionization Energies of the Nucleotides Close DM, Ohman KT
11213 - 11222	Possible Oxidative Polymerization Mechanism of 5,6-Dihydroxyindole from A Initio Calculations Okuda H, Wakamatsu K, Ito S, Sota T
11223 - 11234	Time-Dependent DFT Studies of Metal Core-Electron Excitations in Mn Complexes Jaszewski AR, Stranger R, Pace RJ
11235 - 11250	Ab initio Study of the Diatomic Fluorides FeF, CoF, NiF, and CuF Koukounas C, Mavridis A
11251 - 11255	Toward Modeling Phosphate Tellurate Glasses: The Devitrification and Addition of Gadolinium Ions Behavior Rada S, Culea M, Culea E
11256 - 11262	Explicit Representation of Anisotropic Force Constants for Simulating Intermolecular Vibrations of Multiply Hydrogen-Bonded Systems Houjou H, Kogat R
11263 - 11265	Predicting Boiling Points of Aliphatic Alcohols through Multivariate Image Analysis Applied to Quantitative Structure-Property Relationships Goodarzit M, Freitas MP
11266 - 11272	Noniterative Density Functional Response Approach: Application to Nonlinear Optical Properties of p-Nitroaniline and Its Methyl-Substituted Derivatives Sophy KB, Shedge SV, Pal S
11273 - 11282	Thermochemistry of Ionic Liquid-Catalyzed Reactions. Experimental and Theoretical Study of Chemical Equilibria of Isomerization and Transalkylation of tert-Butylbenzenes Verevkin SP, Kozlova SA, Emel'yanenko VN, Goodrich P, Hardacre C
11283 - 11290	Theoretical Spectroscopy of the N2HAr+ Complex Brites V, Dopfer O, Hochlaf M