The Journal of Physical Chemistry A, 2000, V 104, N 6, 17 February.
ARTICLES
DYNAMICS AND RELAXATION
1079-1084
Formation of Ca+ (EtOH)m
from Alcohol Solutions of CaCl2
Jun-ya Kohno, Fumitaka Mafuné, and Tamotsu Kondow
1085-1094
Monomer Exchange and Concentration Fluctuations of Micelles.
Broad-Band Ultrasonic Spectrometry of the System Triethylene
Glycol Monohexyl Ether/Water
T. Telgmann and U. Kaatze
1095-1099
Hot Molecule as an Intermediate in Multiphoton Reaction:
Two-Photon Decarbonylation of Coumarin Tomoyuki Yatsuhashi
and Nobuaki Nakashima
1100-1106
Light-Induced Opening of the Intramolecular Hydrogen Bond of
UV Absorbers of the 2-(2-Hydroxyphenyl)-1,3,5-triazine and the
2-(2-Hydroxyphenyl)benzotriazole Type
Frank Waiblinger, Juergen Keck, Martin Stein, Anja P. Fluegge,
Horst E. A. Kramer, and David Leppard
1107-1116
Dynamics of H2 and C2H4 E
limination in the Y + C2H6 Reaction
Hans U. Stauffer, Ryan Z. Hinrichs, Jonathan J. Schroden, and
H. Floyd Davis
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
1117-1120
Negative Ion Electron Photodetachment from a Near-Blackbody
Photon Source
Gordon A. Janaway and John I. Brauman
1121-1129
Ab Initio Calculations of Cooperativity Effects on Clusters
of Methanol, Ethanol, 1-Propanol, and Methanethiol
Amadeu K. Sum and Stanley I. Sandler
1130-1140
Electronic Decoupling in Ground and Excited States of
Asymmetric Biaryls
Martin Baumgarten, Lileta Gherghel, Jan Friedrich,
Martin Jurczok, and Wolfgang Rettig
1141-1146
Rotational Spectra of Seven Conformational Isomers of 1-Hexene
G. T. Fraser, R. D. Suenram, and C. L. Lugez
1147-1151
Precipitation Reactions in Water Clusters
Brigitte S. Fox, Martin K. Beyer, Uwe Achatz,
Stefan Joos, Gereon Niedner-Schatteburg, and Vladimir E. Bondybey
1152-1161
Reactions of Laser-Ablated Osmium and Ruthenium Atoms with Nitrogen.
Matrix Infrared Spectra and Density Functional Calculations
of Osmium and Ruthenium Nitrides and Dinitrides
Angelo Citra and Lester Andrews
1162-1164
ESE Studies of Pristine Paramagnetic Species of C60
Powder Samples
Nelson M. Pinhal, Ney V. Vugman, Marcelo H. Herbst, and Gilson H. M. Dias
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
1165-1170
Rate Constants for the Reactions of OH Radicals with CH3OCF2CHF2,
CHF2OCH2CF2CHF2,
CHF2OCH2CF2CF3,
and CF3CH2OCF2CHF2
over the Temperature Range 250-430 K
Kazuaki Tokuhashi, Akifumi Takahashi, Masahiro Kaise, Shigeo Kondo,
Akira Sekiya, Shiro Yamashita, and Haruaki Ito
1171-1185
Tropospheric Oxidation Mechanism of Dimethyl Ether and Methyl Formate
David A. Good and Joseph S. Francisco
1186-1195
Initial Reactions in Chemical Vapor Deposition of
Ta2O5 from TaCl5 and
H2O. An Ab Initio Study
Magdalena Siodmiak, Gernot Frenking, and Anatoli Korkin
1196-1200
Effects of Trimethylpyridine Addition on forward and backward
Electron Transfer between Triplet States of
C60/C70 and 2-Naphthols
Maged El-Kemary, Mohamed El-Khouly, Mamoru Fujitsuka, and
Osamu Ito
1201-1206
The Rates and Mechanisms of Water Exchange of Actinide Aqua Ions:
A Variable Temperature 17O NMR Study of
U(H2O)104+,
UF(H2O)93+, and Th(H2O)104+
Ildikó Farkas and Ingmar Grenthe, István Bányai
1207-1216
Gas-Phase Pyrolyses of 2-Nitropropane and 2-Nitropropanol:
Shock-Tube Kinetics
Yi-Xue Zhang and S. H. Bauer
1217-1225
The Gas-Phase Pyrolysis of 2,2-Dinitropropane: Shock-Tube Kinetics
Yi-Xue Zhang and S. H. Bauer
1226-1232
Oxidation of Phenols by Triplet Aromatic Ketones in Aqueous
Solution
Silvio Canonica, Bruno Hellrung, and Jakob Wirz
1233-1239
The Reaction of C6H5 with CO:
Kinetic Measurement and Theoretical Correlation with
the Reverse Process
Gi-Jung Nam, Wensheng Xia, J. Park, and M. C. Lin
1240-1245
Kinetics of the Reactions between Sulfide Radical Cation Complexes,
[SS]+ and [S< N]+, and Superoxide or
Carbon Dioxide Radical Anions Marija Bonifa i,Gordon L. Hug, and
Christian Schöneich
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
1246-1255
Theoretical Study of Tetramethyl- and Tetra-tert-butyl-Substituted
Cyclobutadiene and Tetrahedrane
Metin Balci, Michael L. McKee, Paul von Ragué Schleyer
1256-1261
Intramolecular Proton Transfer in Glycine Radical Cation
L. Rodríguez-Santiago, M. Sodupe, A. Oliva, and J. Bertran
1262-1270
A Valence Bond Study of the Bonding in First Row Transition
Metal Hydride Cations: What Energetic Role Does Covalency Play?
John Morrison Galbraith, Avital Shurki, and Sason Shaik
1271-1277
The Potential Energy Surface and Ro-Vibrational States of He-CH+
Markus Meuwly, Nicholas J. Wright
1278-1286
X-ray Absorption Spectroscopy (XAS) Study of the Hydration
Structure of Yttrium(III) Cations in Liquid and Glassy States:
Eight or Nine-Fold Coordination?
Sofía Díaz-Moreno, Adela Muñoz-Páez, and
Jesús Chaboy
1287-1292
Polyiodine and Polyiodide Species in an Aqueous Solution of
Iodine + KI: Theoretical and Experimental Studies
Vincent T. Calabrese and Arshad Khan
1293-1303
Determination of Distributed Polarizabilities from a Statistical
Analysis of Induction Energies
François Dehez, Jean-Christophe Soetens, Christophe Chipot,
János G. Ángyán, and Claude Millot
1304-1310
Electronic Structure Study of the N2O Isomers Using
Post-Hartree-Fock and Density Functional Theory Calculations
Feng Wang and Richard D. Harcourt
1311-1318
Structural and Conformational Studies of N,N-Dichloroethanamine
and N,N-Dichloro-2-propanamine by Gas Electron Diffraction
Combined with ab Initio Calculations
Toru Egawa, Masataka Ohtsubo, Hideki Nakagawa, Nobuhiko Kuze,
Hideo Fujiwara, and Shigehiro Konaka
1319-1324
The re Structure of Cyclopropane
Jürgen Gauss, Dieter Cremer, John F. Stanton
1325-1331
Electronic States and Potential Energy Surfaces of WC2
Dingguo Dai and K. Balasubramanian
1332-1336
High-Level ab Initio Calculations of Torsional Potential of Phenol,
Anisole, and o-Hydroxyanisole: Effects of Intramolecular
Hydrogen Bond
Seiji Tsuzuki, Hirohiko Houjou, Yoshinobu Nagawa, and Kazuhisa Hiratani
1337-1345
Molecular Electrostatics, Energetics, and Dynamics of the Alkylation of
Naphthalene: Positional Isomerization of Monoalkylnaphthalenes at
Hartree-Fock and Correlated Levels with BSSE Corrections
Gyula Tasi, Fujio Mizukami, Makoto Toba, Shu-ichi Niwa, and István
Pálinkó
GENERAL PHYSICAL CHEMISTRY
1346-1358
Bond Rupture in the Radiolysis of n-Alkanes: An Application
of Gel Permeation Chromatography to Studies of Radical Scavenging
by Iodine
Laszlo Wojnarovits and Robert H. Schuler
COMMENTS
1359-1361
Comments on "Proton Affinities of Primary Alkanols:
An Appraisal of the Kinetic Method"
Peter D. Thomas and R. Graham Cooks, Károly Vékey
and László Drahos, Chrys Wesdemiotis
1362-1362
Comment on "High-Level ab Initio and Density Functional
Study of the CH + NO Reaction Product Branching"
Allan L. L. East, W. D. Allen
1363-1364
Response to Comment on "High-Level ab Initio and Density Functional
Study of the CH + NO Reaction Product Branching"
Branko S. Jursic