The Journal of Physical Chemistry A, 2002, V 106, N 1, January 10.


DYNAMICS AND RELAXATION
1-11 The Nature of the Intramolecular Charge Transfer Excited State in p- Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor Groups Shmuel Zilberg and Yehuda Haas 12-20 Long Distance Photoinduced Electron Transfer in Solutions: A Mechanism for Producing Large Yields of Free Ion s by Electron Transfer Quenching Jinwei Zhou, Roshan P. Shah, Bret R. Findley, and Charles L. Braun 21-31 Intra- and Intermolecular Photoinduced Energy and Electron Transfer between Oligothienylenevinylenes and N-Methylfulleropyrrolidine Joke J. Apperloo, Corinne Martineau, Paul A. van Hal, Jean Roncali, and Rene' A. J. Janssen 32-34 Cooperative Salt Bridge Stabilization of Gas-Phase Zwitterions in Neutral Arginine Clusters Ryan R. Julian, J. L. Beauchamp, and William A. Goddard III
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
35-40 Photoabsorption of Nitrous Oxide through Rydberg States in the Bound and Continuum Spectral Regions: Main Ionization Channels E. Bustos, A. M. Velasco, I. Marti'n, and C. Lavi'n 41-50 Conformational and Infrared Spectral Studies of L-Methionine and Its N- Deuterated Isotopomer as Isolated Zwitterions Xiaolin Cao and Gad Fischer 51-62 Dynamic Effects on the Powder Line Shapes of Half-Integer Quadrupolar Nuclei: A Solid-State NMR Study of XO4- Groups Robert W. Schurko, Sungsool Wi, and Lucio Frydman 63-73 Vibrational and Electronic Spectroscopy of the Fluorene Cation Jan Szczepanski, John Banisaukas, and Martin Vala , So Hirata and Rodney J. Bartlett , Martin Head-Gordon 74-82 Pulsed EPR Characterization of the Low-Spin Iron(III) Porphyrinate Complexes with Phenyl Isocyanide Ligands Having the dxy Orbital Ground State Andrei V. Astashkin, Arnold M. Raitsimring, Abigail R. Kennedy, Tatjana Kh. Shokhireva, and F. Ann Walker 83-91 Insertion of the Al Atom into Alkyl Ethers: Semiempirical SCF MO and Matrix Isolation ESR Study Paul H. Kasai 92-95 Infrared Spectrum of the Hyponitrite Dianion, N2O22-, Isolated and Insulated from Stabilizing Metal Cations in Solid Neon Lester Andrews, Xuefeng Wang, Mingfei Zhou, and Binyong Liang
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
96-103 Size-Selected Nanoparticle Chemistry: Kinetics of Soot Oxidation Kelly J. Higgins, Heejung Jung, David B. Kittelson, Jeffrey T. Roberts, and Michael R. Zachariah 104-107 Sonolytic Degradation of Phthalic Acid Esters in Aqueous Solutions. Acceleration of Hydrolysis by Sonochemical Action Bongbeen Yim, Yoshio Nagata, and Yasuaki Maeda 108-114 Transient Negative Species in Supercritical Carbon Dioxide: Electronic Spectra and Reactions of CO2 Anion Clusters Kenji Takahashi, Sadashi Sawamura, Nada M. Dimitrijevic, David M. Bartels, and Charles D. Jonah 115-121 Ab Initio and Kinetic Calculation for the Abstraction Reaction of Atomic O(3P) with SiH4 Qingzhu Zhang, Shaokun Wang, Jianhua Zhou, and Yueshu Gu 122-129 Ab Initio and Kinetic Calculations for the Reactions of H with (CH3)(4-n)GeHn (n = 1, 2, 3, 4) Qingzhu Zhang, Dongju Zhang, Shaokun Wang, and Yueshu Gu
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
130-148 Molecular Dynamics Simulation of Methanolic and Ethanolic Silica-Based Sol-Gel Solutions at Ambient Temperature and Pressure J. C. G. Pereira, C. R. A. Catlow, and G. D. Price 149-156 Transformation and Structure of Cation Radicals in L- - Alanine T. L. Petrenko 157-164 The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies Tong Liu, Jiande Gu, Xiao-Jian Tan, Wei-Liang Zhu, Xiao-Min Luo, Hua-Liang Jiang, Ru-Yun Ji, Kai-Xian Chen, Israel Silman, and Joel L. Sussman 165-169 Following Reaction Pathways Using a Damped Classical Trajectory Algorithm H. P. Hratchian and H. B. Schlegel 170-175 Density Functional Theory Analysis of Nickel Octaethylporphyrin Ruffling Lindy K. Stoll, Marek Z. Zgierski, and Pawel M. Kozlowski 176-180 Reaction Cross Sections and Rate Constants for the Cl + H2 Reaction from Quasiclassical Trajectory Calculation on Two New ab Initio Potential Energy Surfaces Changsheng Shen, Tao Wu, Guanzhi Ju, and Wensheng Bian 181-183 Direct Investigation of the Validity of Vertical Approximation in the Calculation of Transition Moment Matrix Elements: n * Transition in Methyl Formate Alexandre B. Rocha, Andre' S. Pimentel, and Carlos E. Bielschowsky 184-199 Hydrolysis, Solvation, and Reduction of SO3, S2O6, ClO3(OH), Cl2O7, and ArO4- Relating Chemical Propertie s to the Instability of S=O, Cl=O, and Ar=O Groups J. R. Tobias Johnson , Itai Panas
GENERAL PHYSICAL CHEMISTRY
200-208 Stopped-Flow and DFT Studies of Proton Transfer and Isomerization of 5-Amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine and Its Related Base 2-(5-Amino-3,4-dicyano-2H-pyrrol-2-ylidene)-1,1,2- tricyanoethanide in Water: A Completely Sorted out Square Scheme Edmond Collange, Alberto Flamini, and Rinaldo Poli 209-214 Photocyclization/Cycloreversion Quantum Yields of Diarylethenes in Single Crystal s Katsunori Shibata, Keishi Muto, Seiya Kobatake, and Masahiro Irie