The Journal of Physical Chemistry A, 2001, V 105, N 38, 27 September.

ARTICLES 

DYNAMICS AND RELAXATION 

8605-8614 
Time-Resolved Raman Studies of Photoionization of Aromatic Compounds in Polar 
Solvents: Picosecond Relaxation Dynamics of Aromatic Cation Radicals 
Takakazu Nakabayashi, Satoshi Kamo, Hirochika Sakuragi, and Nobuyuki Nishi
8615-8622 

Photoinduced Microsecond-Charge-Separation in Retinyl-C60 Dyad 
Mariko Yamazaki, Yasuyuki Araki, Mamoru Fujitsuka, and Osamu Ito

8623-8628 
Picosecond IR-UV Pump-Probe Spectroscopy. IVR of OH Stretching Vibration of 
Phenol and Phenol Dimer 
Takayuki Ebata, Masakazu Kayano, Shin Sato, and Naohiko Mikami 

8629-8634 
Time-Dependent Quantum Dynamics Study of the C + CH Reaction on the 2A' Surface 
Bi-Yu Tang, Mao-Du Chen, Ke-Li Han, and John Z. H. Zhang  

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 

8635-8641 
Multiphoton Excited Conductance Spectroscopy. 1. Application of the Born Model 
to Femtosecond Laser Excited Multiphoton Ionization of Nonpolar Liquids
Jesse S. Greever, Joseph B M. Turner, and John F. Kauffman

8642-8645 
Electronic and Vibrational Spectroscopy of Dihydrogen Bonded 2-Pyridone-Borane-
Trimethylamine Complex in Supersonic Jets G. 
Naresh Patwari, Takayuki Ebata, and Naohiko Mikami 

8646-8650 
Dielectric Spectroscopy of the Room Temperature Molten Salt Ethylammonium 
Nitrate 
H. Weingartner and A. Knocks , W. Schrader and U. Kaatze*

8651-8657 
Structures of Carbazole-(H2O)n (n = 1-3) Clusters Studied by IR Dip Spectroscopy 
and a Quantum Chemical Calculation 
Makoto Sakai, Kota Daigoku, Shun-ichi Ishiuchi, Morihisa Saeki, Kenro Hashimoto, 
and Masaaki Fujii

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 

8658-8664 
Measurement of Relative Product Yields from the Photolysis of Dichlorine 
Monoxide (Cl2O) 
Geoffrey D. Smith, Francisco M. G. Tablas, Luisa T. Molina, and Mario J. Molina 

8665-8671 
Wavelength Dependence of Photooxidation vs Photofragmentation of Chromocene 
Peter T. Muraoka, Daniel Byun, and Jeffrey I. Zink 

8672-8680 
Photolysis of Nitrous Oxide Isotopomers Studied by Time-Dependent Hermite 
Propagation
Matthew S. Johnson, Gert Due Billing, Alytis Gruodis, and Maurice H. M. Janssen 

8681-8690 
Absolute Rate Constants and Yields of Transients from Hydroxyl Radical and H 
Atom Attack on Glycine and Methyl-Substituted Glycine Anions 
Igor tefani, Marija Bonifai, Klaus-Dieter Asmus, and David A. Armstrong 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 

8691-8695 
MALDI-TOF-MS of Saturated Polyolefins by Coordination of Metal Cations: A 
Theoretical Study 
A. W. Ehlers, C. G. de Koster, Robert J. Meier, and K. Lammertsma 

8696-8708 
Role of the Hydrogen Bonds in Nitroanilines Aggregation: Charge Density Study of 
2-Methyl-5-nitroaniline 
Javier Ellena, Andres E. Goeta, Judith A. K. Howard, and Graciela Punte 

8709-8717 
Protonation of Gaseous Halogenated Phenols and Anisoles and Its Interpretation 
Using DFT-Based Local Reactivity Indices 
Oksana Tishchenko, Nguyen-Nguyen Pham-Tran, Eugene S. Kryachko, and Minh Tho Nguyen 
 
8718-8726 
A Theoretical Investigation of the Effects of Electronegative Substitution on 
the Strength of C-H···N Hydrogen Bonds
Stacey D. Wetmore, Robyn Schofield, David M. Smith, and Leo Radom*

8727-8733 
Enhanced Nonlinear Optical Response in Zwitterionic Molecules: A Computational 
Study on the Role of Orbital Interactions through Bonds
Sanyasi Sitha, J. Laxmikanth Rao, K. Bhanuprakash, and B. M. Choudary  

8734-8739 
"Troublesome" Vibrations of Aromatic Molecules in Second-Order Moller-Plesset 
and Density Functional Theory Calculations: Infrared Spectra of Phenol and 
Phenol-OD Revisited 
Danuta Michalska, Wiktor Zierkiewicz, Dariusz C. Bieko, Walter Wojciechowski, 
and Therese Zeegers-Huyskens 

8740-8747 
Energetics of Uracil Cation Radical and Anion Radical Ion-Molecule Reactions in 
the Gas Phase 
Frantiek Tureek and Jill K. Wolken 

8748-8755 
Capability of LEP-Type Surfaces To Describe Noncollinear Reactions. 2. 
Polyatomic Systems 
J. Espinosa-Garcia  

8756-8762 
Self-Consistent Reaction Field Calculations of Aqueous Al3+, Fe3+, and Si4+: 
Calculated Aqueous-Phase Deprotonation Energies Correlated with Experimental 
ln(Ka) and pKa J. D. Kubicki  

8763-8768 
Density Functional Theory and X-ray Investigations of P- and M-Hexamethylene 
Triperoxide Diamine and Its Dialdehyde Derivative 
Andrzej Wierzbicki, E. Alan Salter, Eugene A. Cioffi, and Edwin D. Stevens

8769-8774 
Ab Initio Study of the Structures and * n Electronic Transition in Formic Acid-
(Water)n (n = 3, 4, and 5) Hydrogen Bonded Complexes 
Gustavo F. Velardez and Juan C. Ferrero , J. Alberto Beswick and Jean Pierre Daudey  

8775-8781 
Protonation of Bipyridines and Their Vinylene-Phenylene-Vinylene Derivatives: 
Theoretical Analysis of the Positive Charge Effects 
Jing-Fang Pan, Zhi-Kuan Chen, Soo-Jin Chua, and Wei Huang  

8782-8786 
Diffuse-Bound and Valence-Bound Anions of Cytosine
O. Dolgounitcheva, V. G. Zakrzewski, and J. V. Ortiz  

8787-8793 
Electronic Structure of Al3On and Al3On- (n = 1-3) Clusters
Ana Martinez and Francisco J. Tenorio , J. V. Ortiz  

8794-8804 
Density Functional Calculations on Alanine-Derived Radicals: Influence of 
Molecular Environment on EPR Hyperfine Coupling 
Constants E. Pauwels, V. Van Speybroeck, P. Lahorte, and M. Waroquier  

8805-8814 
Systematic Study of the Quality of Various Quantum Similarity Descriptors. Use 
of the Autocorrelation Function and Principal Component Analysis Greet Boon, 
Wilfried Langenaeker, Frank De Proft, Hans De Winter, Jan P. Tollenaere, and Paul Geerlings  

8815-8820 
Scrutiny of the HSAB Principle in Some Representative Acid-Base Reactions Pratim 
K. Chattaraj, Badhin Gomez, E. Chamorro, J. Santos, and P. Fuentealba  

ADDITIONS AND CORRECTIONS 

8821-8822 
Collective Electronic Oscillators for Second-Order Polarizabilities of Push-Pull Carotenoids
Timothee Toury, Joseph Zyss, Vladimir Chernyak, and Shaul Mukamel