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;