Journal of Physical Chemistry A, V 108, N 43, October 28.


LETTERS

Surface Generalized Born Method: A Simple, Fast, and Precise Implicit Solvent Model beyond the Coulomb Approximation Alexey N. Romanov, Sergey N. Jabin, Yaroslav B. Martynov, Alexey V. Sulimov, Fedor V. Grigoriev, and Vladimir B. Sulimov pp 9323 - 9327; Re-examination of the Solvolysis of Acyl Chlorides. Rethinking the Role of Both Carbonyl and Chloride Mark A. Zottola and Roger A. Klein pp 9328 - 9330;
ARTICLES

DYNAMICS AND RELAXATION
Ground and Excited State Hydrogen Atom Transfer Reactions and Cyclization of 2-Acetylbenzoic Acid L. Santos, A. Vargas, M. Moreno, B. R. Manzano, J. M. Lluch, and A. Douhal pp 9331 - 9341; Shock Induced Reaction Observed via Ultrafast Infrared Absorption in Poly(vinyl nitrate) Films S. D. McGrane, D. S. Moore, and D. J. Funk pp 9342 - 9347; Comparative OHD-RIKES and THz-TDS Probes of Ultrafast Structural Dynamics in Molecular Liquids Matthew C. Beard, William T. Lotshaw, Timothy M. Korter, Edwin J. Heilweil, and Dale McMorrow pp 9348 - 9360;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Transient Phenomena of Polyphenyls in the Higher Triplet Excited State Xichen Cai, Masanori Sakamoto, Michihiro Hara, Sachiko Tojo, Kiyohiko Kawai, Masayuki Endo, Mamoru Fujitsuka, and Tetsuro Majima pp 9361 - 9364;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Molecular Origins of Selectivity in the Reduction of NOx by NH3 Donghai Sun, William F. Schneider, James B. Adams, and Debasis Sengupta pp 9365 - 9374; Crystals Formed at 293 K by Aqueous Sulfate-Nitrate-Ammonium-Proton Aerosol Particles Julie C. Schlenker, Adam Malinowski, Scot T. Martin, Hui-Ming Hung, and Yinon Rudich pp 9375 - 9383; Aggregation of a Benzoporphyrin Derivative in Water/Organic Solvent Mixtures: A Mechanistic Proposition Fernanda Ibanez Simplicio, Rafael Ribeiro da Silva Soares, Florangela Maionchi, Ourides Santin Filho, and Noboru Hioka pp 9384 - 9389;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
B3LYP Investigation of HPO2, trans-HOPO, cis-HOPO, and Their Radical Anions Nicole R. Brinkmann and Ian Carmichael pp 9390 - 9399; Additivity of Cation- Interactions: An ab Initio Computational Study on -Cation- Sandwich Complexes Tong Liu, Weiliang Zhu, Jiandu Gu, Jianhua Shen, Xiaomin Luo, Gang Chen, Chum Mok Puah, Israel Silman, Kaixian Chen, Joel L. Sussman, and Hualiang Jiang pp 9400 - 9405; Variable Temperature Neutron Diffraction Analysis of a Very Short O-H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid-H···Owater Hydrogen Bonds in a Multicenter Array Peddy Vishweshwar, N. Jagadeesh Babu, Ashwini Nangia, Sax A. Mason, Horst Puschmann, Raju Mondal, and Judith A. K. Howard pp 9406 - 9416; Electronically Excited States of Methylenecycloalkanes Kenneth B. Wiberg and Yi-gui Wang pp 9417 - 9422; Cation- versus Anion- Interactions: Energetic, Charge Transfer, and Aromatic Aspects Carolina Garau, Antonio Frontera, David Quinonero, Pablo Ballester, Antoni Costa, and Pere M. Deya pp 9423 - 9427; Do Linear-Chain Perfluoroalkanes Bind an Electron? Ankan Paul, Chaitanya S. Wannere, and Henry F. Schaefer III pp 9428 - 9434; Time-Dependent Density Functional Calculations on the Electronic Absorption Spectra of an Asymmetric Meso-Substituted Porphyrin and Its Zinc Complex Oana Cramariuc, Terttu I. Hukka, and Tapio T. Rantala pp 9435 - 9441; On the Accuracy of Theoretically and Experimentally Determined Electron Densities of Polar Bonds Julian Henn, Dagmar Ilge, Dirk Leusser, Dietmar Stalke, and Bernd Engels pp 9442 - 9452; Time-Dependent Density Functional Theory Investigation of Electronic Excited States of Tetraoxaporphyrin Dication and Porphycene Jian Wan, Yanliang Ren, Jianming Wu, and Xin Xu pp 9453 - 9460; Free Energy Profiles for the Identity SN2 Reactions Cl- + CH3Cl and NH3 + H3BNH3: A Constraint Ab Initio Molecular Dynamics Study Sheng-Yong Yang, Paul Fleurat-Lessard, Iordan Hristov, and Tom Ziegler pp 9461 - 9468; Ab Initio MRD-CI Study of the Electronic Spectrum of BrNO2 and Photofragmentation Antonija Lesar, Saa Kovai, Milan Hodoek, Max Muhlhauser, and Sigrid D. Peyerimhoff pp 9469 - 9474;