The Journal of Physical Chemistry A, 2001, V 105, N 51, 27 December.
ARTICLES
DYNAMICS AND RELAXATION
11395-11399
Femtosecond Time-Resolved Spectroscopy of Photoisomerization of Methyl Orange in
Cyclodextrins
Masako Takei, Hiroharu Yui, Yasushi Hirose, and Tsuguo Sawada
11400-11406
Femtochemistry of the Hydrated Electron at Decimolar Concentration
S. Pommeret, F. Gobert, M. Mostafavi, I. Lampre, and J.-C. Mialocq
11407-11413
Solvent-Controlled Acceleration of Electron Transfer in Binary Mixtures
Audrius Puglys, Harald P. den Hartog, Andrius Baltuka, Maxim S. Pshenichnikov,
Siva Umapathy, and Douwe A. Wiersma
11414-11424
Photodissociation of H2O and D2O in , and States (134-119 nm). Comparison
between Experiment and ab Initio Calculations
J. H. Fillion, R. van Harrevelt, J. Ruiz, M. Castillejo, A. H. Zanganeh,
J. L. Lemaire, M. C. van Hemert, and F. Rostas
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
11425-11431
Spectroscopic Properties of a Self-Assembled Zinc Porphyrin Tetramer I. Steady
State Optical Spectroscopy
Mikalai M. Yatskou, Rob B. M. Koehorst, Harry Donker, and Tjeerd J. Schaafsma
11432-11440
Spectroscopic Properties of a Self-Assembled Zinc Porphyrin Tetramer II. Time-
Resolved Fluorescence Spectroscopy
Mikalai M. Yatskou, Rob B. M. Koehorst, Arie van Hoek, Harry Donker, and Tjeerd
J. Schaafsma , Bas Gobets, Ivo van Stokkum, and Rienk van Grondelle
11441-11445
On the Structure of Np(VI) and Np(VII) Species in Alkaline Solution Studied by
EXAFS and Quantum Chemical Methods
He'le`ne Bolvin, U. Wahlgren, Henry Moll, Tobias Reich, Gerhard Geipel,
Thomas Fangha"nel, and Ingmar Grenthe
11446-11454
Rovibrational Energy Transfer in Methane Excited to 2 3 in CH4-N2 Mixtures from
Double-Resonance Measurements
F. Menard-Bourcin, C. Boursier, L. Doyennette, and J. Menard
11455-11461
Mass-Analyzed Threshold Ionization Spectroscopy of the Selected Rotamers of
Hydroquinone and p-Dimethoxybenzene Cations
J. L. Lin, L. C. L. Huang, and W. B. Tzeng
11462-11469
Bonding in Transition Metal-Ether Complexes: The Spectroscopy and Reactivity of
the Zr Atom-Dimethyl Ether System
David B. Pedersen, Marek Z. Zgierski, Sarah Anderson, David M. Rayner, and
Benoit Simard , Shengang Li and Dong-Sheng Yang
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
11470-11479
Modeling Polarization through Induced Atomic Charges
Gyo"rgy G. Ferenczy and Christopher A. Reynolds
11480-11487
A Comparative Classical-Quantum Study of the Photodissociation of Water in the Band
Rob van Harrevelt and Marc C. van Hemert , George C. Schatz
11488-11495
Two-Photon Singlet Oxygen Sensitizers: Quantifying, Modeling, and Optimizing the
Two-Photon Absorption Cross Section
Tina D. Poulsen, Peter K. Frederiksen, Mikkel Jrgensen, Kurt V. Mikkelsen, and
Peter R. Ogilby
11496-11504
Product Distribution in the Photolysis of s-cis Butadiene: A Dynamics Simulation
Marco Garavelli, Fernando Bernardi, Massimo Olivucci, Michael J. Bearpark, Stephane Klein, and Michael A. Robb,
11505-11514
Alternative Approaches for the Calculation of Induction Energies:
Characterization, Effectiveness, and Pitfalls
Christophe Chipot, Franc,ois Dehez, Ja'nos A'ngya'n, Claude Millot, M. Orozco,
and F. Javier Luque
11515-11523
An Atoms in Molecules and Electron Localization Function Computational Study on
the Molecular Structure of the 6-Tricyclo[3.2.1.02,4]octyl Cation
Nick Henry Werstiuk and Yi-Gui Wang
11524-11530
A Computational Study of the Structures of the p-Methoxyphenethylamine(H2O)2-4
Complexes
In~igo Unamuno, Jose A. Ferna'ndez, Asier Longarte, and Fernando Castan~o
11531-11533
Bonding Analysis of Hydrogenated Lithium Clusters Using the Electron
Localization Function
P. Fuentealba and A. Savin
11534-11540
Absolute Hydration Free Energy of the Proton from First-Principles Electronic
Structure Calculations
Chang-Guo Zhan and David A. Dixon
11541-11548
Description of C(sp2)-C(sp2) Rotation in Butadiene by Density Functionals
J. C. Sancho-Garci'a, A. J. Pe'rez-Jime'nez, and F. Moscardo'
11549-11559
Product Branching Ratios of the C(3P) + C2H3(2A') and CH(2 ) + C2H2(1 g+)
Reactions and Photodissociation of H2CC CH(2B1) at 193 and 242 nm: an ab
Initio/RRKM Study
Thanh Lam Nguyen, Alexander M. Mebel, Sheng H. Lin, and Ralf I. Kaiser
11560-11573
Cyclic Adenine-, Cytosine-, Thymine-, and Mixed Guanine-Cytosine-Base Tetrads in
Nucleic Acids Viewed from a Quantum-Chemical and Force Field Perspective
Michael Meyer, Christoph Schneider, Maria Brandl, and Ju"rgen Su"hnel
11574-11581
Computer Simulation of Amide Bond Formation in Aqueous Solution
S. Chalmet, W. Harb, and M. F. Ruiz-Lo'pez
GENERAL PHYSICAL CHEMISTRY
11582-11592
Ionized Phenol and Its Isomers in the Gas Phase
Hung Thanh Le, Robert Flammang, Pascal Gerbaux, Guy Bouchoux, and Minh Tho Nguyen
ADDITIONS AND CORRECTIONS
11593-11593
2000, Volume 104A Solubility of HBr in H2SO4/H2O and HNO3/H2SO4/H2O Solutions
Jo"rg Kleffmann, Karl H. Becker, Rolf Bro"ske, Dieter Rothe, and Peter Wiesen: