The Journal of Physical Chemistry A, 2001, V 105, N 22, 7 June.

ARTICLES

DYNAMICS AND RELAXATION

 5309-5316 
Common Marcus Type Dependence of the Charge Transfer Induced Processes in the 
Sensitization and Quenching of Singlet Oxygen by Naphthalene Derivatives
Claude Schweitzer, Zahra Mehrdad, Farokh Shafii, and Reinhard Schmidt  

 5317-5325 
Large Electron Transfer Rate Effects from the Duschinsky Mixing of Vibrations
Gerald M. Sando, Kenneth G. Spears, and Joseph T.Hupp , Peder Thusgaard Ruhoff 

 5326-5333
 Ab Initio Computation of the Duschinsky Mixing of Vibrations and Nonlinear 
Effects 
Gerald M. Sando and Kenneth G. Spears

 SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 5334-5339 
Photoactivation of CO in Ti Silicalite Molecular Sieve
Young-Hoon Yeom and Heinz Frei 

 5340-5347
 Gas-Phase Reactivity of Ni+ with Glycine 
L. Rodriguez-Santiago, M. Sodupe, and J. Tortajada 

 5348-5355 
Fluorescence Spectroscopy of All-trans-anhydrorhodovibrin and
Spirilloxanthin: Detection of the 1Bu- Fluorescence 
Ritsuko Fujii, Tatsuya Ishikawa, Yasushi Koyama, Miwa Taguchi, 
Yoshie Isobe, Hiroyoshi Nagae, and Yasutaka Watanabe 

 5356-5371
Calculation of Optical Rotation Using Density Functional Theory
P. J. Stephens, F. J. Devlin, J. R. Cheeseman, and M. J. Frisch

5372-5379
Separation of Dielectric Nonideality from Preferential Solvation in
Binary Solvent Systems: An Experimental Examination of the Relationship
between Solvatochromism and Local Solvent Composition around a Dipolar Solute 
Mazdak Khajehpour, Carrie M. Welch, Keith A. Kleiner, and John F. Kauffman 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 5380-5384
Products of the Chlorine-Atom- and Hydroxyl-Radical-Initiated
Oxidation of CH3CN G. S. Tyndall and J. J. Orlando , T. J.
Wallington and M. D. Hurley 

 5385-5392
Kinetic Study of the Reactions of Chlorine Atoms and Cl2[Image]- Radical Anions 
in Aqueous Solutions. II. Toluene, Benzoic Acid, and Chlorobenzene 
Daniel O. Mártire, Janina A. Rosso, Sonia Bertolotti, Galo Carrillo Le Roux,
André M. Braun, and Mónica C. Gonzalez

 5393-5401
Temperature Dependence and Deuterium Kinetic Isotope Effects in
the CH (CD) + C2H4 (C2D4) Reaction between 295 and 726 K Holger
Thiesemann, Eileen P. Clifford, Craig A. Taatjes, and Stephen J. Klippenstein 

 5402-5409
Kinetics of the O + ClO Reaction Leah Goldfarb, 
James B. Burkholder, and A. R. Ravishankara 

 5410-5419
A Gas-Phase Study of the Kinetics of Formation of Fe(CO)3DMB,
Fe(CO)3(DMB)2, and Fe(CO)4DMB: The Bond Dissociation Enthalpy
for Fe(CO)3(DMB)2 (DMB = 3,3-dimethyl-1-butene) 
Jiaqiang Wang and Eric Weitz 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 5420-5430 
Structure, Torsional Potentials, and Thermodynamic Properties
[Image]H[Image]f298, S[Image]298, and Cp(T) of Chloro-Dimethyl
Ethers: CH2ClOCH3, CHCl2OCH3, and CCl3OCH3. Density Functional
and ab Initio Calculations Dawoon 
Jung and Joseph W. Bozzelli

5431-5437 
Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with 
B3LYP Density-Functional Theory (DFT) and ab Initio Second Order Mller-Plesset 
Perturbation Theory (MP2) Calculations 
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

5438-5441
 Nature of the Fluorescent State of N-Arylcarbazole Derivatives
as Derived from Directly Measured Values of the Excited State Dipole Moment A.
Samanta, S. Saha, and R. W. Fessenden

5442-5449 
Relating Environmental Effects and Structures, IR, and NMR
Properties of Hydrogen-Bonded Complexes: ClH:Pyridine 
Karena Chapman, Deborah Crittenden, Joseph Bevitt, and Meredith J. T.
Jordan , Janet E. Del Bene 

 5450-5467
Density Functional Studies on the Lone Pair Effect of the Trivalent Group (V)
Elements: I. Electronic Structure, Vibronic Coupling, and Chemical Criteria for 
the Occurrence of Lone Pair Distortions in AX3 Molecules (A=N to Bi; X=H, and F
to I) 
M.Atanasov and D. Reinen 

 5468-5472 
Identification for IPR Isomers of Fullerene C82 by Theoretical
13C NMR Spectra Calculated by Density Functional Theory 
Guangyu Sun and Miklos Kertesz 

 5473-5478
Polarizabilities ([Image]) of Dendritic Molecular Aggregates: Visualization of 
Intermolecular-Interaction and Damping Effects on [Image] 
Masayoshi Nakano, Masahiro Takahata, Harunori Fujita, Shinji Kiribayashi, 
and Kizashi Yamaguchi

 5479-5485
Evaluating the Activation Barriers for Transition Metal N2O Reactions
Annelies Delabie, Chris Vinckier, Michaela Flock, and Kristine Pierloot 

 5486-5489
B13+ Is Highly Aromatic 
Jun-ichi Aihara 

 5490-5497
 Calculation of the EPR g-Tensors of High-Spin Radicals with
Density Functional Theory S. Patchkovskii and T. Ziegler

5498-5506
 Molecular and Electronic Structure of C5H5N-SO3: Correlation of
Ground State Physical Properties with Orbital Energy Gaps in
Partially Bound Lewis Acid-Base Complexes S. W. Hunt and K. R. Leopold 

COMMENTS

 5507-5508
Comments on "Anomalous Dielectric Relaxation of Aqueous Protein
Solutions" by Nilashis Nandi and Biman Bagchi (J. Phys. Chem. A
1998, 102, 8217) S. Boresch and O. Steinhauser 

 5509-5510
 Reply to the Comment by S. Boresch and O. Steinhauser on the
Letter by N. Nandi and B. Bagchi Entitled "Anomalous Dielectric
Relaxation of Aqueous Protein Solution" N. Nandi , B. Bagchi