The Journal of Physical Chemistry A, 2001, V 105, N 17, 3 May.
LETTERS
4167-4171
Ultrafast Diffraction Imaging of the Electrocyclic Ring-Opening
Reaction of 1,3-Cyclohexadiene Ray
C. Dudek and Peter M. Weber
ARTICLES
DYNAMICS AND RELAXATION
4172-4176
Photoinduced Electron Transfer in Donor-Acceptor Double-Cable
Polymers: Polythiophene Bearing Tetracyanoanthraquinodimethane
Moieties Gerald Zerza, Antonio Cravino, Helmut Neugebauer, and
N. Serdar Sariciftci , Rafael Gómez, José L. Segura, and
Nazario Martín , Mattias Svensson and Mats R. Andersson
4177-4181
Solvent Effects for Nonadiabatic Proton Transfer in the
Benzophenone/N,N-Dimethylaniline Contact Radical Ion Pair
Kevin S. Peters and Ganghyeok Kim
4182-4188
Picosecond Infrared Spectra of Isotope-Substituted
4-(Dimethylamino)benzonitriles and Molecular Structure of the
Charge-Transfer Singlet Excited State
Hiromi Okamoto, Hironori Inishi, Yuko Nakamura, Shigeru Kohtani,
and Ryoichi Nakagaki
4189-4199
Two-Dimensional Penning Ionization Electron Spectroscopy of
Monohalogenobenzenes by He*(23S): C6H5X (X = F, Cl, Br, I)
Kohei Imura, Naoki Kishimoto, and Koichi Ohno
4200-4210
Excited-State Energy Transfer Processes in Phenylene- and
Biphenylene-Linked and Directly-Linked Zinc(II) and Free-Base
Hybrid Diporphyrins Hyun Sun Cho, Dae Hong Jeong, Min-Chul
Yoon, Yong Hee Kim, Yong-Rok Kim, and Dongho Kim , Sae Chae
Jeoung , Seong Keun Kim , Naoki Aratani, Hideyuki Shinmori, and
Atsuhiro Osuka
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
4211-4215
Investigation of the Structure of the Ternary Cluster of
Aniline-Water-Tetrahydrofuran and Its Cation by Infrared Depletion Spectroscopy
Taisuke Nakanaga, Naveed K. Piracha, and Fumiyuki Ito
4216-4225
Conformational Analysis, Barriers to Internal Rotation,
Vibrational Assignment, and ab Initio Calculations of 3-Fluoro-1-butene
James R. Durig, Seung Won Hur, Todor K. Gounev, Fusheng Feng, and Gamil A.
Guirgis
4226-4234
Spectral Effects of Excitonic Interactions in Disordered Solid Films
Regien G. Stomphorst, Tjeerd J. Schaafsma, and G. van der Zwan
4235-4240 Spectroscopic Study of Erythrosin B in PVA Films Regien G.
Stomphorst, Gert van der Zwan, Marc A. M. J. van Zandvoort,
Alexander B. Sieval, Han Zuilhof, Frank J. Vergeldt, and Tjeerd J. Schaafsma
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
4241-4247
Mechanism of Redox Reactions between SO3[Image]- Radicals and
Transition-Metal Macrocyclic Complexes: Oxidative Addition to
the Ligand and Outer-Sphere Electron Transfer S. K. Dutta and G. Ferraudi
4248-4251 Kinetic Study for Molecular Recognition of Amino Acid by
Cyclodextrin in Aqueous Solution Takaho Ugawa and Sadakatsu Nishikawa
4252-4258
Formation of Amino Acid Precursors in the Interstellar Medium.
A DFT Study of Some Gas-Phase Reactions Starting with Methylenimine
Vladimir A. Basiuk
4259-4271
Gas-Phase Chemistry of Bare V+ Cation with Oxygen and Water at
Room Temperature: Formation and Hydration of Vanadium Oxide Cations
Gregory K. Koyanagi and Diethard K. Bohme , Ilona
Kretzschmar, Detlef Schröder, and Helmut Schwarz
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
4272-4283
Ab Initio SCF and DFT Studies on Solvent Effects on
Intramolecular Rearrangement Reactions Pratim K. Chattaraj,
Patricia Pérez, Jenny Zevallos, and Alejandro Toro-Labbé
4284-4289
Computational Study of the Reactions of Methane with XO
Radicals (X = F, Cl, or Br): Implications in Combustion
Chemistry Florent Louis, Thomas C. Allison, Carlos A. Gonzalez,
and Jean-Pierre Sawerysyn
4290-4299
Theoretical Study of Ligand Superhyperfine Structure.
Application to Cu(II) Complexes Frank Neese
4300-4307
Intramolecular Electronic Redistribution Coupled to Hydrogen
Bonding: An Important Mechanism for the "Neutral-to-Ionic"
Transition Vincent Oison, Claudine Katan, and Christiane Koenig
4308-4311
Ab Initio Study of the Adamantonium Cations: the Protonated
Adamantane Pierre M. Esteves, Gabriel G. P. Alberto, Alejandro
Ramírez-Solís, and Claudio J. A. Mota
4312-4315
Structure of Hyperlithiated Li3O and Evidence for Electronomers
Keiichi Yokoyama , Hiromasa Tanaka and Hiroshi Kudo
4316-4327
Quantum Chemical and RRKM Investigation of the Elementary
Channels of the Reaction C6H6 + O (3P) Devin Hodgson, Hai-Yue
Zhang, Mark R. Nimlos, and J. Thomas McKinnon
4328-4332
Catalytic Roles of Water Protropic Species in the
Tautomerization of Excited 6-Hydroxyquinoline: Migration of
Hydrated Proton Clusters Taeg Gyum Kim, Yongho Kim, and Du-Jeon Jang
4333-4343
First-Principle Molecular Dynamic Simulations along the
Intrinsic Reaction Paths Artur Michalak and Tom Ziegler
4344-4350
Interactions and Reactions of Sulfur Trioxide, Water, and
Ammonia: An ab Initio and Density Functional Theory Study
Laura J. Larson and Fu-Ming Tao
4351-4358
Real Space Ab Initio Molecular Dynamics Simulations for the
Reactions of OH Radical/OH Anion with Formaldehyde Hideaki
Takahashi, Takumi Hori, Tadafumi Wakabayashi, and Tomoshige Nitta
4359-4364
Effect of Counterpoise Correction on the Geometries and
Vibrational Frequencies of Hydrogen Bonded Systems
S. Simon, J. Bertran, and M. Sodupe*
4365-4370
Anisotropic Molecular Polarizabilities of HCHO, CH3CHO, and
CH3COCH3. Rayleigh Depolarization Ratios of HCHO and CH3CHO and
First and Second Kerr Virial Coefficients of CH3COCH3
Vincent W. Couling,1a Brendan W. Halliburton,1b Roland I. Keir,1b and
Geoffrey L. D. Ritchie,1b
4371-4378
Ab Initio Bonding, Molecular Structure, and Quadrupole Coupling
Constants of Aluminum Chlorides
Gilbert J. Mains, Evangelos A. Nantsis, and W. Robert Carper
COMMENTS
4379-4380
Comment on "Photoisomerization of trans-Stilbene in Moderately
Compressed Gases: Pressure Dependent Effective Barriers" (J.
Phys. Chem. A 1999, 103, 10528-10539) Eli Pollak
4381-4382
Reply to Comment by E. Pollak on "Photoisomerization of
trans-Stilbene in Moderately Compressed Gases:
Pressure-Dependent Effective Barriers" (J. Phys. Chem. A 1999,
103, 10528-10529) A. Meyer, J. Schroeder, J. Troe, and M.Votsmeier