The Journal of Physical Chemistry A, 2001, V 105, N 48, 6 December.
LETTERS
10753-10758
Dehydrogenation Reaction from a Dihydrogen Bonded Precursor Complex in the Gas Phase
G. Naresh Patwari, Takayuki Ebata, and Naohiko Mikami
FEATURE ARTICLE
10759-10775
Beyond Classical Stoichiometry: Experiment and Theory
Alexander I. Boldyrev , Lai-Sheng Wang
ARTICLES
DYNAMICS AND RELAXATION
10776-10780
Electron Spin Polarization Transfer and Radical-Triplet Pair Polarization in
Nitroxide-C60 Derivative Systems
Elena Sartori, Antonio Toffoletti, and Carlo Corvaja , Luigi Garlaschelli
10781-10790
Reactivity and Anisotropic Interaction of 1,3,5-C6H3F3 and C6F6 with He*(23S)
Atoms: Comparison with Mono- and Di-fluorobenzenes
Kohei Imura, Naoki Kishimoto, and Koichi Ohno
10791-10799
Scaling Laws for Strongly Anharmonic Vibrational Matrix Elements
M. S. Child, M. P. Jacobson, and C. D. Cooper
10800-10806
Ab Initio Calculation and Multiphoton Ionization Studies of Pyrimidine-
(Methanol)n Clusters
Bailin Zhang, Yong Cai, Xiaolan Mu, Nanquan Lou, and Xiuyan Wang
10807-10815
Solvent Effects on trans/gauche Conformational Equilibria of Substituted
Chloroethanes: a Polarizable Continuum Model Study
Chiara Cappelli, Stefano Corni, and Jacopo Tomasi
10816-10821
A Gaussian-2 and Gaussian-3 Study of Alkoxide Anion Decompositions. 2. Alkane
Eliminations of (CH3)2(C2H5)CO- and (i-Pr)(C2H5)2CO-
Justin Kai-Chi Lau and Wai-Kee Li , S.-W. Chiu
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
10822-10831
Naphthyl Radical: Negative Ion Photoelectron Spectroscopy, Franck-Condon
Simulation, and Thermochemistry Kent M. Ervin, Tanya M. Ramond, Gustavo E.
Davico, Rebecca L. Schwartz, Sean M. Casey, and W. Carl Lineberger
10832-10838
UV-Induced Photoisomerization of Acetylacetone and Identification of Less-Stable
Isomers by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Calculation
Naoko Nagashima, Satoshi Kudoh, Masao Takayanagi, and Munetaka Nakata
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
10839-10845
Spectroscopy of Hydrothermal Solutions 18: pH-Dependent Kinetics of Itaconic
Acid Reactions in Real Time
Jun Li and Thomas B. Brill
10846-10853
Low Quantum Yields of Electron-Transfer Reaction of Photoexcited Ru(bpydc)34-
with Co(tpy)23+ and Methyl Viologen2+ (bpydc:2,2'-Bipyridine-4,4'-dicarboxylate
and tpy:2,2':6',2"-Terpyridine)
Akio Yoshimura, Md. Jamal Uddin, Nobuaki Amasaki, and Takeshi Ohno
10854-10859
Kinetics and Mechanisms for the Reactions of CF3OCH3 and CF3OC(O)H with OH
Radicals Using an Environmental Reaction
Chamber L. Chen, S. Kutsuna, K. Nohara, K. Takeuchi, and T. Ibusuki
10860-10866
Kinetic Modeling of the Effect of H2S and of NH3 on Toluene Hydrogenation in the
Presence of a NiMo/Al2O3 Hydrotreating Catalyst. Discrimination between
Homolytic and Heterolytic Models
S. Blanchin, P. Galtier, S. Kasztelan, S. Kressmann, H. Penet, and G. Pe'rot
10867-10873
Cluster Ion Thermal Decomposition (I): Experimental Kinetics Study and ab Initio
Calculations for HSO4-(H2SO4)x(HNO3)y
Joachim Curtius, Karl D. Froyd, and Edward R. Lovejoy
10874-10883
Cluster Ion Thermal Decomposition (II): Master Equation Modeling in the Low-
Pressure Limit and Fall-Off Regions. Bond Energies for HSO4-(H2SO4)x(HNO3)y
Edward R. Lovejoy and Joachim Curtius
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
10884-10889
Hydrogen Bonding in Concentrated Aqueous Solutions of 1,2-Dimethoxyethane:
Formation of Water Clusters
Zhorro S. Nickolov, Nikolay Goutev, and Hiroatsu Matsuura
10890-10898
Stereochemistry of Radical Halogenation Reactions. An ab Initio Molecular
Orbital Study Zhen-Hua Li, Kang-Nian Fan, and Ming Wah Wong
10899-10905
Studies on 6,6'-Disubstitution Effects of the dpq in [Ru(bpy)2(dpq)]2+ with DFT
Method Kangcheng Zheng, Juping Wang, Wenlie Peng, Xuewen Liu, and Fengcun Yun
10906-10914
Can Proton-Shared or Ion-Pair N-H-N Hydrogen Bonds Be Produced in Uncharged
Complexes? A Systematic ab Initio Study of the Structures and Selected NMR and
IR Properties of Complexes with N-H-N Hydrogen Bonds
Justin S. -S. Toh, Meredith J. T. Jordan, Barry C. Husowitz, and Janet E. Del Bene
10915-10921
Electronic, Structural, and Hyperfine Interaction Investigations on Rydberg
Molecules: NH4, OH3, and FH2
Feiwu Chen and Ernest R. Davidson
10922-10928
Ab Initio Calculation of Amide Carbonyl Stretch Vibrational Frequencies in
Solution with Modified Basis Sets. 1. N-Methyl Acetamide
Jan Kubelka and Timothy A. Keiderling
10929-10942
Hydration of Valine-Cation Complexes in the Gas Phase: On the Number of Water
Molecules Necessary to Form a Zwitterion
Rebecca A. Jockusch, Andrew S. Lemoff, and Evan R. Williams
COMMENTS
10943-10945
Comment on the Electronic Reorganization in 1,3-Dipolar Cycloaddition of
Fulminic Acid to Acetylene
Minh Tho Nguyen, Asit K. Chandra, Tadafumi Uchimaru, and Shogo Sakai
10946-10946
Reply to Comment "Electronic Reorganization in 1,3-Dipolar Cycloaddition of
Fulminic Acid to Acetylene"
Peter B. Karadakov and David L. Cooper
10947-10948
Reply to Comment "Electronic Reorganization in 1,3-Dipolar Cycloaddition of
Fulminic Acid to Acetylene" Richard D. Harcourt