Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.25 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (24 articles)

5199 - 5205	Radiation-Induced Transformations of C6H6 Molecules in Solid Noble-Gas Matrices: Is Benzene Intrinsically Resistant in Condensed Media? Lukianova MA, Sanochkina EV, Feldman VI
5206 - 5213	Low-Temperature Rate Constants and Product-Branching Ratios for the C(D-1) + H2O Reaction Hickson KM
5214 - 5222	Sub-100 fs Intersystem Crossing to a Metal-Centered Triplet in Ni(II)OEP Observed with M-Edge XANES Ryland ES, Zhang KL, Vura-Weis J
5223 - 5230	Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States Tran T, Segarra-Marti J, Bearpark MJ, Robb MA
5231 - 5241	A Quasi-Diabatic Representation of the 1,2(1)A States of Methylamine Wang YC, Xie CJ, Guo H, Yarkony DR
5242 - 5248	Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Gordon MS
5249 - 5256	Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides Schoendorff G, Schmidt MW, Ruedenberg K, Gordon MS
5257 - 5265	Correlated Electronic States of a Few Polycyclic Aromatic Hydrocarbons: A Computational Study Giri G, Pati YA, Ramasesha S
5266 - 5273	FTIR Spectroscopy and DFT Calculations to Probe the Kinetics of beta-Carotene Thermal Degradation Martin D, Amado AM, Gonzalvez AG, Marques MPM, de Carvalho LAEB, Urena AG
5274 - 5282	Structure and Dynamics of the Methane-Propane van der Waals Complex Peterson KI, Pullman DP, Lin W, Minei AJ, Arsenault EA, Novick SE
5283 - 5292	Q(y) and Q(x) Absorption Bands for Bacteriochlorophyll a Molecules from LH2 and LH3 Anda A, Hansen T, De Vico L
5293 - 5299	Influence of Triplet Surface Properties on Excited-State Deactivation of Expanded Cage Bis(tridentate)Rutheniunn(II) Complexes Fredin LA, Persson P
5300 - 5308	Odd-Even Reactivity Variation Due to Dynamical Effects around the Roaming Saddle Points of the Reaction Between C-n(-) Chain (n=2-8) and H-2 Yoshida D, Takahashi K
5309 - 5316	Infrared Spectroscopy and Density Functional Theory Investigations of PdTi Heterodimer Reactivity with Carbon Monoxide Isolated in Solid Argon Ibrahim M, Soulard P, Alikhani ME, Tremblay B
5317 - 5324	Re (c) B-8(-) and Re (c) B-9(-): New Members of the Transition-Metal-Centered Borometallic Molecular Wheel Family Chen TT, Li WL, Bai H, Chen WJ, Dong XR, Li J, Wang LS
5325 - 5333	Optical Spectroscopy of Small Carbon Clusters from Electron-Impact Fragmentation and Ionization of Fullerene-C-60 Strelnikov DV, Link M, Weippert J, Kappes MM
5334 - 5340	Discrete Solvent Reaction Field Calculations for One- and Two-Photon Absorptions of Solution-Phase Dimethylaminonitrostilbene Molecule Lu SI
5341 - 5346	Standard Redox Potentials of Fe(III) Aqua Complexes Included into the Cavities of Cucurbit[n]urils (n=6-8): A DFT Forecast Masliy AN, Grishaeva TN, Kuznetsov AM
5347 - 5355	Competition between Proton Transfer and Proton Isomerization in the N-2 + HOC+ Reaction on an Ab Initio-Based Global Potential Energy Surface Yao Q, Xie CJ, Guo H
5356 - 5366	Effects of Intra- and Intermolecular Hydrogen Bonding on O-H Bond Photodissociation Pathways of a Catechol Derivative Grieco C, Hanes AT, Blancafort L, Kohler B
5367 - 5377	Enhancement of Atmospheric Nucleation by Highly Oxygenated Organic Molecules: A Density Functional Theory Study Zhao F, Feng YJ, Liu YR, Jiang S, Huang T, Wang ZH, Xu CX, Huang W
5378 - 5387	Bond-Dependent Thole Model for Polarizability and Spectroscopy DeloStritto M, Klein ML, Borguet E
5388 - 5394	Evolutionary Algorithm Optimization of Zeeman Deceleration: Is It Worthwhile for Longer Decelerators? Toscano J, Wu LY, Hejduk M, Heazlewood BR
5395 - 5406	Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H-2 + Cu(111) and H-2 + Ag(111) Smeets EWF, Voss J, Kroes GJ