The Journal of Physical Chemistry A, 2000, V 104, N 34, 31 August.

FEATURE ARTICLE


7917-7926
Nonadiabatic Trajectories at an Exhibition 
Michael D. Hack and Donald G. Truhlar 

ARTICLES

DYNAMICS AND RELAXATION

7927-7933
Photolysis and Spectroscopy of Vibrationally Excited C-H Overtones of 
CHFCl2 
Aviva Melchior, Xiangling Chen, Ilana Bar, and Salman Rosenwaks 

7934-7943
Solvation Statics and Dynamics in Electrolyte Solutions. The 
Ion-Solvent Exchange Model 
R. Argaman, T. Molotsky, and D. Huppert 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


7944-7949
Anharmonic Vibrational Spectroscopy Calculations for Novel 
Rare-Gas-Containing Compounds:  HXeH, HXeCl, HXeBr, and HXeOH 
Jan Lundell, Galina M. Chaban and R. Benny Gerber 

7950-7956
Association Forms of NO in Sodium Ion-Exchanged A-Type Zeolite:
Temperature-Dependent Q-Band EPR Spectra 
Hidenori Yahiro, Anders Lund, Roland Aasa, Nikolas P. Benetis, and 
Masaru Shiotani 

7957-7963
Gas-Phase 1H NMR Studies of Internal Rotation Barriers and
Conformer Stabilities of N-Ethyl, N-Methylthioamides 
Angela N. Taha, Susan M. Neugebauer-Crawford, and Nancy S. True 

7964-7973
Manganese Carbonyl Nitrosyl Complexes in Solid Argon:  Infrared Spectra
and Density Functional Calculations 
Xuefeng Wang, Mingfei Zhou, and Lester Andrews 

7974-7979
Vibrational Relaxation of OH and OD Stretching Vibrations of Phenol
and Its Clusters Studied by IR-UV Pump-Probe Spectroscopy 
Takayuki Ebata, Atsushi Iwasaki, and Naohiko Mikami 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


7980-7994
Elucidation, by Scanning Microcalorimetry, of the Detailed Mechanism of the 
Thermal Rearrangement of [18]Annulene into Benzene and 1,2-Benzo-1,3,7-
cyclooctatriene. Determination and Interpretation of the Thermochemical and 
Kinetic Parameters of the Three Consecutive Reactions Implicated 
Jean F. M. Oth, Jean-Marie Gilles 

7995-8000
Kinetics and Mechanism of the Carbonate Ion Inhibited Aqueous Ozone 
Decomposition 
Attila Nemes, István Fábián, and Rudi van Eldik 

8001-8010
Photodissociation of IO (355 nm) and OIO (532 nm):  Quantum Yields for 
O(3P) and I(2PJ) Production 
Trevor Ingham, Melanie Cameron, and John N. Crowley 

8011-8026
Reactions of Fe(CO)3 and Fe(CO)4 with 
C2Cl4 in the Gas Phase Monitored by Transient Infrared 
Spectroscopy:  Formation of Fe(CO)4(C2Cl4), 
Fe(CO)3(C2Cl4)2, and Novel Chloride 
Complexes Resulting from the Oxidative Addition of C2Cl4 
David L. Cedeño and Eric Weitz 

8027-8032
Reaction Chemistry in the Afterglow of an Oxygen-Helium, Atmospheric-Pressure 
Plasma 
James Y. Jeong, Jaeyoung Park, Ivars Henins, Steve E. Babayan, Vincent J. Tu,
Gary S. Selwyn, Guowen Ding, and Robert F. Hicks 

8033-8037
Controlling Chaos with Artificial Neural Network:  Numerical Studies and 
Experiments 
István Z. Kiss and Vilmos Gáspár 

8038-8044
FTIR Study of N2O3 on Porous Glass at Room Temperature 
Michihiro Mochida and Barbara J. Finlayson-Pitts 

8045-8049
Unexpected Phenomena in the Mercury(II)-Chlorite Ion System:  Formation and 
Kinetic Role of the HgClO2+ Complex 
István Fábián and Dóra Szücs, Gilbert Gordon 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


8050-8057
Radiative and Nonradiative Excited State Relaxation Channels in Squaric Acid 
Derivatives Bearing Differently Sized Donor Substituents:  A Comparison of 
Experiment and Theory 
Claudia Gude and Wolfgang Rettig 

8058-8066
Reaction Path Hamiltonian Analysis of Dynamical Solvent Effects for a Claisen
Rearrangement and a Diels-Alder Reaction 
Hong Hu, Mark N. Kobrak, Changsen Xu, and Sharon Hammes-Schiffer 

8067-8074
Complexation of Na+ and K+ to Aromatic Amino Acids:
A Density Functional Computational Study of Cation Interactions 
Robert C. Dunbar 

8075-8080
Thermochemistry of the Reactions F+(3P, 1D) 
+ PH3 in the Gas Phase 
Francisco Fernández-Morata, Manuel Alcamí, Leticia 
González, and Manuel Yáñez 

8081-8088
Artificial Neural Network Approach to Predict the Solubility of C60 
in Various Solvents 
István Z. Kiss, Géza Mándi, and Mihály T. Beck 

8089-8096
Density Functional Study of the Interactions between Dihydrogen and 
Pdn (n = 1-4) Clusters 
Irena Efremenko, Ernst D. German, and Moshe Sheintuch 

8097-8104
Structures of NO2+(H2O)n and 
(HNO3)(H3O+)(H2O)n
-2 (n = 2-4) Clusters 
R. C. Binning, Jr. and Yasuyuki Ishikawa 

8105-8113
The Shielding Constants and Scalar Couplings in N-H···O=C and
N-H···N=C Hydrogen Bonded Systems:  An ab Initio MO Study 
Magdalena Pecul, Jerzy Leszczynski, and Joanna Sadlej 

8114-8120
Ab Initio Molecular Orbital and Density Functional Studies on the Stable 
Structures and Vibrational Properties of trans- and cis-Azobenzenes 
Noriyuki Kurita, Shigenori Tanaka, and Satoshi Itoh 

8121-8130
Unimolecular Decomposition of the 2-Oxepinoxy Radical:  A Key Seven-Membered 
Ring Intermediate in the Thermal Oxidation of Benzene 
Michael J. Fadden and Christopher M. Hadad 


GENERAL PHYSICAL CHEMISTRY


8131-8141
A Carbon-13 and Deuterium NMR Investigation of Solid Platinum-Ethylene 
Complexes:  Zeise's Salt and Pt(2-
C2H4)(PPh3)2 
Guy M. Bernard, Roderick E. Wasylishen, and Andrew D. Phillips 

8142-8145
Solid State Polymerization of Acetylene at High Pressure and Low Temperature 
Chad C. Trout and J. V. Badding 

8146-8153
Excited State Properties of Donor-Acceptor Substituted trans-Stilbenes:
The meta-Amino Effect 
Frederick D. Lewis and Wilfried Weigel 


ADDITIONS AND CORRECTIONS 


8154-8154
Ab Initio Study of the Reactions between a Series of Substituted Singlet
 Nitrenium Ions and Water 
Manuel Marquez, Frank Mari, and Carlos A.Gonzalez