The Journal of Physical Chemistry , 1999, V 103, N 19, 13 May.

ARTICLES

DYNAMICS AND RELAXATION.

3589-3595
Excited-State Kinetics of the Hydrophobic Probe Nile Red in Membranes and Micelles 
M. M. G. Krishna 

3596-3607
The GROMOS Biomolecular Simulation Program Package 
Walter R. P. Scott, Philippe H. Hünenberger, 
Ilario G. Tironi, Alan E. Mark,Salomon R. Billeter, 
Jens Fennen, Andrew E. Torda,Thomas Huber, Peter Krüger, and
Wilfred F. van Gunsteren 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


3608-3617
Ion-Solvent Interactions in Acetonitrile Solutions of Lithium, Sodium, 
and Tetraethylammonium Perchlorate Using Attenuated Total Reflectance FTIR Spectroscopy 
John S. Loring and W. Ronald Fawcett 

3618-3628
Hydrated Clusters of 2-Phenylethyl Alcohol and 2-Phenylethylamine:  
Structure, Bonding, and Rotation of the S1 S0
Electronic Transition Moment 
Matthew R. Hockridge and Evan G. Robertson 

3629-3635
Conformers of -Vinylethanol:  Internal Hydrogen Bonding to -Bonded System 
Jonathan G. Crofts, Ronald D. Brown, and Peter D. Godfrey 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


3636-3645
Experimental and Theoretical Studies of the Reaction of the 
Phenyl Radical with Methane 
I. V. Tokmakov, J. Park, S. Gheyas, and M. C. Lin 

3646-3656
Light-Induced Electron Transfer in Pyropheophytin-Anthraquinone 
and Phytochlorin-Anthraquinone Dyads:  Influence of Conformational Exchange 
N. V. Tkachenko, A. Y. Tauber, D. Grandell, P. H. Hynninen, and H. Lemmetyinen 

3657-3665
Light-Induced Electron Transfer in Pyropheophytin-Anthraquinone Dyads: 
Vectorial Charge Transfer in Langmuir-Blodgett Films 
N. V. Tkachenko,A. Y. Tauber, P. H. Hynninen,A. Y. Sharonov, and H. Lemmetyinen 

3666-3671
Characterization of New Sulfide Ions (C2S3+) 
from Ethenedithione by Ion-Molecule Reactions 
Pascal Gerbaux and Robert Flammang , Carl Th. Pedersen , Ming Wah Wong 

3672-3677
Laser Photolysis Studies on Photodissociation of Axial Ligands 
from Isocyanide Complexes of Cobalt(III) and Rhodium(III) 
Porphyrins in Toluene Solutions.
A Comparison with the Photochemistry of Carbonylrhodium(III) Porphyrin 
Mikio Hoshino, Takahiro Nagamori, Hiroshi Seki, Takahiro Tase, Teiji Chihara,
Jerome P. Lillis, and Yasuhiro Wakatsuki 

3678-3686
Equilibrium Water Partial Pressures and Salt Solubilities in Aqueous 
NH4HSO4 to Low Temperatures 
Yan Yao, Mario Massucci, Simon L. Clegg, and Peter Brimblecombe 

3687-3692
Unimolecular Reactions of Proton-Bound Cluster Ions:  Competition between
 Dissociation and Isomerization in the Methanol-Acetonitrile Dimer 
Paul M. Mayer 

3693-3705
Reactions of Dimethyl Ether with Atomic Oxygen:  
A Matrix Isolation and a Quantum Chemical Study 
Roman Wrobel, Wolfram Sander, Elfi Kraka, and Dieter Cremer 

3706-3720
Reaction Dynamics of Zr and Nb with Ethylene 
Peter A. Willis, Hans U. Stauffer, Ryan Z. Hinrichs, and H. Floyd Davis 

3721-3725
Temperature Dependence of the Product Branching Ratio of the CN + O2 Reaction 
Kwang Taeg Rim and John F. Hershberger 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

3726-3731
Vibrational Analysis and Ring-Puckering Inversion Barrier of Perfluorocyclopentene 
Gad Fischer and Xiaolin Cao 

3732-3744
Density Functional Study of Magnetic Coupling Parameters:  
F and H Hyperfine Splitting Constants for the Prototype 
Inorganic (d) and Organic (p1) Radicals TiF3 and CH3 
Paola Belanzoni,Evert Jan Baerends, and Michiel Gribnau 

3745-3749
Conformational Analysis of Quinone Anion Radicals in Photosystem II and Photosynthetic Bacteria 
Fahmi Himo,Gerald T. Babcock, and Leif A. Eriksson 

3750-3765
Theoretical Study of the Kinetics of the Hydrogen Abstraction from Methanol. 
3. Reaction of Methanol with Hydrogen Atom, Methyl, and Hydroxyl Radicals 
Jerzy T. Jodkowski, Marie-Thérèse Rayez, and Jean-Claude Rayez 
, Tibor Bérces and Sándor Dóbé 

3766-3771
Two Valence Bond State Model for Molecular Nonlinear Optical Properties. 
Comparison with Push-Pull Polyene Solution Measurements 
Ward H. Thompson, Mireille Blanchard-Desce, Valérie Alain, 
Jacques Muller, Alain Fort,Marguerite Barzoukas, and James T. Hynes 

3772-3777
Bridging Hydroxyl Groups in Faujasite:  Periodic vs Cluster Density Functional Calculations 
Jörg-Rüdiger Hill, Clive M. Freeman, and Bernard Delley 

3778-3782
Computational Studies on the Stability of [Amide]Br- Complexes 
Michal ajan, Ivan Stibor, and Jaroslav Koa 

3783-3795
13C-H and 13C-13C Spin 
Coupling Behavior in Aldofuranosyl Rings from Density Functional Theory 
Francis Cloran, Ian Carmichael, and Anthony S. Serianni 

ADDITIONS AND CORRECTIONS

3796-3796
A New Five-Site Pair Potential for Formic Acid in Liquid Simulations 
Pál Jedlovszky and László Turi