Journal of Physical Chemistry, 2002, V 106, N 44, November 7.
LETTERS
New Strategy for Optimal Control of Femtosecond Pump-Dump Processes
Roland Mitri, Michael Hartmann, Jii Pittner, and Vlasta Bonai-Kouteck
pp 10477 - 10481;
Infrared Spectroscopy of Ni+(C2H2)n Complexes: Evidence for Intracluster
Cyclization Reactions
R. S. Walters, T. D. Jaeger, and M. A. Duncan
pp 10482 - 10487;
ARTICLES
DYNAMICS AND RELAXATION
Direct Observation of OH Formation and Luminescent Emission from Photoexcited
Acetaldoxime
Pradyot K. Chowdhury
pp 10488 - 10493;
Non-Adiabatic Direct Dynamics Study of Chromium Hexacarbonyl Photodissociation
Martin J. Paterson, Patricia A. Hunt, Michael A. Robb, and Ohgi Takahashi
pp 10494 - 10504;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Structure, Dynamics, and Magnetic Shieldings of Permanganate Ion in Aqueous
Solution. A Density Functional Study
Michael Buhl
pp 10505 - 10509;
Conformational Analysis Using Infrared and Vibrational Circular Dichroism
Spectroscopies: The Chiral Cyclic Sulfoxides 1-Thiochroman-4-one S-Oxide,
1-Thiaindan S-Oxide and 1-Thiochroman S-Oxide
F. J. Devlin, P. J. Stephens, P. Scafato, S. Superchi, and C. Rosini
pp 10510 - 10524;
Vibrational Spectrum and Structure of the Fe2CO Molecule. An Infrared Matrix
Isolation and Density Functional Theory Study
Benoit Tremblay, Gennady Gutsev, Laurent Manceron, and Lester Andrews
pp 10525 - 10531;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Kinetics of Reactions of Cl Atoms with Methane and Chlorinated Methanes
Mikhail G. Bryukov, Irene R. Slagle, and Vadim D. Knyazev
pp 10532 - 10542;
The Nucleation and Freezing of Dilute Nitric Acid Aerosols
D. B. Dickens and J. J. Sloan
pp 10543 - 10549;
Reaction of the Butadiene Cation with Ethylene in the Gas Phase
Haiqing Hu and Paul G. Wenthold
pp 10550 - 10553;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
On Conformation and Hydrogen Bonding in Vigabatrin Amino Acid Molecule
N. Sadlej-Sosnowska, J. Cz. Dobrowolski, W. P. Ozimiski, and A. P. Mazurek
pp 10554 - 10562;
Gas-Phase Reactivity of Cu+ and Ag+ with Glycerol: an Experimental and
Theoretical Study
Laurence Boutreau, Emmanuelle Leon, Luis Rodriguez-Santiago, Pierre Toulhoat,
Otilia Mo, and Jeanine Tortajada
pp 10563 - 10577;
Theoretical Study of the Rate Constants and Kinetic Isotope Effects of the 1,2-
Hydrogen-Atom Shift of Methoxyl and Benzyloxyl Radicals Assisted by Water
Antonio Fernandez-Ramos and Marek Z. Zgierski
pp 10578 - 10583;
Molecular Dynamics Simulations of the Hydrated Trivalent Transition Metal Ions
Ti3+, Cr3+, and Co3+
Chinapong Kritayakornupong, Jorge Iglesias Yague, and Bernd M. Rode
pp 10584 - 10589;
Density Functional Theory Studies on Radical Ions of Selected Polychlorinated
Biphenyls
Sundaram Arulmozhiraja, Toshihiro Fujii, and Masatoshi Morita
pp 10590 - 10595;
Accurate Prediction of Band Gaps in Neutral Heterocyclic Conjugated Polymers
Geoffrey R. Hutchison, Mark A. Ratner, and Tobin J. Marks
pp 10596 - 10605; D
Binding Energies and Three Body Potentials of He3 and Ne3: A Hierarchical
Approach toward the Basis Set and Correlation Limit
Soon Bum Huh and Jae Shin Lee
pp 10606 - 10612;
Pyrrole-2-carboxylic Acid and Its Dimers: Molecular Structures and Vibrational
Spectrum
Alina T. Dubis, Sawomir J. Grabowski, Dorota B. Romanowska, Tomasz Misiaszek, and Jerzy Leszczynski
pp 10613 - 10621;
On the Molecular and Electronic Structure of Spiroketones and Half-Molecule
Models
V. Galasso, J. Bogdanov, P. Maslak, D. Jones, and A. Modelli
pp 10622 - 10629;
Al3On and Al3On- (n = 1-3) Clusters: Structures, Photoelectron Spectra, Harmonic
Vibrational Frequencies, and Atomic Charges
Ana Martinez, Luis E. Sansores, Roberto Salcedo, Francisco J. Tenorio, and J. V.
Ortiz
pp 10630 - 10635;
First Evidence of Rhombic (NaCl)2-. Ab Initio Reexamination of the Sodium
Chloride Dimer Anion
Iwona Anusiewicz, Piotr Skurski, and Jack Simons
pp 10636 - 10644;
Ab Initio Study of Selective Fluorescence Quenching of Polycyclic Aromatic
Hydrocarbons
John V. Goodpaster, James F. Harrison, and Victoria L. McGuffin
pp 10645 - 10654;
Structures of the 1,1-Difluoroethylene and Tetrafluoroethylene Anions
Xin-Juan Hou and Ming-Bao Huang
pp 10655 - 10662;
Modeling of Biomolecular Systems with the Quantum Mechanical and Molecular
Mechanical Method Based on the Effective Fragment Potential Technique: Proposal
of Flexible Fragments
Bella L. Grigorenko, Alexander V. Nemukhin, Igor A. Topol, and Stanley K. Burt
pp 10663 - 10672;
Theoretical Study of the Effect of Hydrogen-Bonding on the Stability and
Vibrational Spectrum of Isolated 2,2,2-Trifluoroethanol and Its Molecular
Complexes
M. L. Senent, A. Nino, C. Munoz-Caro, Y. G. Smeyers, R. Dominguez-Gomez,
and J. M. Orza
pp 10673 - 10680;
Delocalization Does Not Always Stabilize: A Quantum Chemical Analysis of -
Substituent Effects on 54 Alkyl and Vinyl Cations
Kaj van Alem, Gerrit Lodder, and Han Zuilhof
pp 10681 - 10690;
Energetic and Topological Analyses of Cooperative H- and H-Bonding Interactions
Igor Vorobyov, M. Cecilia Yappert, and Donald B. DuPre
pp 10691 - 10699;
Solvent Polarity and pH Effects on the Magnetic Properties of Ionizable
Nitroxide Radicals: A Combined Computational and Experimental Study of 2,2,5,5-
Tetramethyl-3-carboxypyrrolidine and 2,2,6,6-Tetramethyl-4-carboxypiperidine
Nitroxides
Gloria A. A. Saracino, Annamaria Tedeschi, Gerardino D'Errico, Roberto Improta,
Lorenzo Franco, Marco Ruzzi, Carlo Corvaia, and Vincenzo Barone
pp 10700 - 10706;
Charge Model 3: A Class IV Charge Model Based on Hybrid Density Functional
Theory with Variable Exchange
Paul Winget, Jason D. Thompson, James D. Xidos, Christopher J. Cramer, and
Donald G. Truhlar
pp 10707 - 10717;
GENERAL PHYSICAL CHEMISTRY
The Influence of Chromophore Structure on Intermolecular Interactions. A Study
of Selected Rhodamines in Polar Protic and Aprotic Solvents
J. L. Dela Cruz and G. J. Blanchard
pp 10718 - 10724;
Aggregation of Copper(II) Tetrasulfonated Phthalocyanine in Aqueous Salt
Solutions
Philip J. Camp, Anita C. Jones, Robert K. Neely, and Neil M. Speirs
pp 10725 - 10732;