The Journal of Physical Chemistry, 1999, V 103, N 11, 18 March.
LETTERS
1437-1441 Ab Initio and MM3 Studies of the Conformational Structures of
Naphthalene Trimer: Comparison with Experiment Carlos Gonzalez,
Edward C. Lim
1442-1446 Rotational Coherence Spectroscopy and Structure of Naphthalene
Trimer Peyman Benharash, Michael J. Gleason, and Peter M.
Felker
ARTICLES
DYNAMICS AND RELAXATION
1447-1456 NMR Relaxation Studies of the 13CH3 Spin Grouping in the
Vicinity of the T1 Minimum Marie-Thérčse Chenon, Reinhard
Dunkel, David M. Grant, and Lawrence G. Werbelow
1457-1462 Solvent Effects on the Complex Formation of Benzophenone Ketyl
Radical and Triethylamine Toyohiko Abe, Akio Kawai, Yoshizumi
Kajii, Kazuhiko Shibuya, and Kinichi Obi
1463-1467 Surface Stoichiometry of Ionic Surfactants at Interfaces: A New
Thermodynamic Model Isabelle Berlot, Pierre Labbé, Pierre
Letellier, Jean-Claude Moutet, and David Segal
1468-1479 Dynamics of Endoergic Bimolecular Proton Transfer Reactions: F-
+ ROH [Image] HF + RO- (R = H, CH3, CH3CH2, (CH3)2CH, and
(CH3)3C) Vincent F. DeTuri, Moon A. Su, and Kent M. Ervin
1480-1486 ENDOR and ESR Studies of Radical Cations of Methyl-Substituted
Benzene in Halocarbon Matrices R. M. Kadam, Y. Itagaki, R.
Erickson, and A. Lund
1487-1503 Transition State Resonances in the Reaction Cl + H2 [Image] HCl
+ H Jay Srinivasan, Thomas C. Allison, David W. Schwenke, and
Donald G. Truhlar
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
1504-1508 Resonant Fluorescence Quenching of Aromatic Hydrocarbons by
Carbon Disulfide Henning Groenzin and Oliver C. Mullins ,
William W. Mullins
1509-1517 Conformational Studies of Cyclopropylmethylacetylene from
Temperature Dependent FT-IR Spectra of Xenon Solutions and Ab
Initio Calculations Gamil A. Guirgis, C. J. Wurrey, Zhenhong
Yu, Xiaodong Zhu, and James R. Durig
1518-1522 Cluster Ion Formation from Alcohol Solutions of CaI2 Jun-ya
Kohno, Fumitaka Mafuné, and Tamotsu Kondow
1523-1537 Hydrogen Stretching Vibrational Circular Dichroism in Methyl
Lactate and Related Molecules Denise M. P. Gigante, Fujin Long,
Louise A. Bodack, Jeffrey M. Evans, James Kallmerten, Laurence
A. Nafie, and Teresa B. Freedman
1538-1546 Spectral Analysis and Photofragmentation Dynamics of the
Perdeuteromethoxy Radical Brian E. Applegate, Michael B.
Pushkarsky, and Terry A. Miller
1547-1552 Photoionization Spectroscopy of KAu and NaAu Diatomics A.
Stangassinger, A. M. Knight, and M. A. Duncan
KINETICS: ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
1553-1559 Chemical Kinetic Approach To The Mechanism Of Coupled Transport
Of Cu(II) Ions Through Bulk Liquid Membranes M. Szpakowska , O.
B.Nagy
1560-1565 Time-Resolved Emission Studies of Intermolecular Triplet
Excimers in Fluid Solutions: Dibenzofuran and Dibenzothiophene
Revisited Xiaohong Wang, Jinquian Tian, William G. Kofron, and
Edward C. Lim
1566-1571 A Shock Tube Study of the Product Branching Ratio for the
Reaction NH2 + NO Using Frequency-Modulation Detection of NH2
M. Votsmeier, S. Song, R. K. Hanson, and C. T. Bowman
1572-1578 Electrochemical Reduction of Bisulfite in Mildly Acidic
Buffers: Kinetics of Sulfur Dioxide-Bisulfite Interconversion
Yuriy V. Tolmachev and Daniel A. Scherson
1579-1584 Fluorescence of 2,3-Diazabicyclo[2.2.2]oct-2-ene Revisited:
Solvent-Induced Quenching of the n,[Image]*-Excited State by an
Aborted Hydrogen Atom Transfer Werner M. Nau, Gerhard Greiner,
Hermann Rau, Julia Wall, Massimo Olivucci, and J. C. Scaiano
1585-1591 Gas-Phase Chemistry of Vanadium Oxide Cluster Cations 3.
Reactions with CCl4 R. C. Bell, K. A. Zemski, and A. W.
Castleman, Jr.
1592-1597 Hydrogen Peroxide Production in the Radiolysis of Water with
Heavy Ions Barbara Pastina and Jay A. LaVerne
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
1598-1610 Modeling with Semiempirical Molecular Connectivity Terms
Lionello Pogliani
1611-1618 Ab Initio Calculations on Uracil-Water Tanja van Mourik, Sarah
L. Price, and David C. Clary [
1619-1626 Density Functional Theory Investigation of the Electronic
Structure and Spin Density Distribution in Peroxyl Radicals
Michael J. Raiti and Michael D. Sevilla
1627-1633 Geometry and Electronic Structure of Titanacycloalkenes Daniel
C. Lawson and Roger L. DeKock
1634-1639 Ab Initio Calculations of Monosubstituted (CH3OH, CH3SH, NH3)
Hydrated Ions of Zn2+ and Ni2+ Lubomír Rulí[Image]ek and Zden
[Image]k Havlas
1640-1643 Effect of Basis Set Superposition Error on the Water Dimer
Surface Calculated at Hartree-Fock, M[Image]ller-Plesset, and
Density Functional Theory Levels Sílvia Simon and Miquel Duran,
J. J. Dannenberg
1644-1652 Molecular Structure of the Aluminum Halides, Al2Cl6, AlCl3,
Al2Br6, AlBr3, and AlI3, Obtained by Gas-Phase
Electron-Diffraction and ab Initio Molecular Orbital
Calculations Kirsten Aarset, Quang Shen, Hanne Thomassen, Alan
D. Richardson, and Kenneth Hedberg
1653-1661 Theoretical Study of X-H Bond Energetics (X = C, N, O, S):
Application to Substituent Effects, Gas Phase Acidities, and
Redox Potentials G. A. DiLabio, D. A. Pratt, A. D. LoFaro, and
J. S. Wright
1662-1668 A Gas-Phase Basicity Scale for Selenocarbonyl Compounds Based
on High-Level ab Initio and Density Functional Theory
Calculations Ana I. González, Otilia Mó, and Manuel Yáńez
1669-1677 The Thermal Decomposition of 1,2-Dioxetane Revisited Sarah
Wilsey, Fernando Bernardi, Massimo Olivucci, Michael A. Robb,
Sean Murphy, and Waldemar Adam
1678-1688 Nitric/Nitrous Acid Equilibria in Supercritical Water Jerzy
Chlistunoff, Kirk J. Ziegler, Leon Lasdon, and Keith P.
Johnston
COMMENTS
1689-1689 Editor's Comments on "Hydrogen Bonding at Aerosol Interface" by
Jian-Xiang Zhang, Denise Aiello, and Pamela M. Aker, J. Phys.
Chem. 1995, 99, 721.
ADDITIONS AND CORRECTIONS
1690-1690 Highly Mobile Solvent Holes in Viscous Squalane Solutions As
Detected by Quantum Beats and MARY Spectroscopy Techniques Oleg
M. Usov, Dmitrii V. Stass, Boris M. Tadjikov, and Yuri N. Molin