Journal of Physical Chemistry, 2004, V 108, N 5, February 5.

 
LETTERS 

Spin Biochemistry: Magnetic Isotope Effect in the Reaction
of Creatine Kinase with CH3HgCl
Anatoly L. Buchachenko, Dmitri A. Kouznetsov, 
and Alexandre V. Shishkov
pp 707 - 710; 
 
Powder Diffraction Indexing as a Pattern Recognition Problem: 
A New Approach for Unit Cell Determination Based on an Artificial Neural Network
Scott Habershon, Eugene Y. Cheung, Kenneth D. M. Harris, and Roy L. Johnston
pp 711 - 716; 

ARTICLES

DYNAMICS AND RELAXATION 
 
Two-Dimensional Self-Diffusion of Alkylammonium Ions 
Located in the Interlayer Space of Tetrasilicicfluormica
Miho Yamauchi, Shin'ichi Ishimaru, and Ryuichi Ikeda
pp 717 - 720;

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Experimental and Computational Studies of the Infrared Spectra 
of 3,4-Benzotropone and Naphtho[2,3-c]tropone: Medium 
Effects on the Molecular Structures of the Tropones
Tadatake Sato, Hiroyuki Niino, and Masakazu Ohkita
pp 721 - 726; 
 
Ultrafast Relaxation Process of Excited-State NH4 
Radical in Ammonia Clusters
Nobuhiro Okai, Akihiro Takahata, Masayuki Morita, 
Shinji Nonose, and Kiyokazu Fuke
pp 727 - 733; 
 
Assignment of Vibrational Spectra of 1,10-Phenanthroline 
by Comparison with Frequencies and Raman Intensities
from Density Functional Calculations
Markus Reiher, Georg Brehm, and Siegfried Schneider
pp 734 - 742; 
 
Saving Measurement Time in 13C NMR Spectroscopy
Sharif D. Kunikeev and Howard S. Taylor
pp 743 - 753; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Viscosity Dependence of the Magnetic Field
Effect Due to the g Mechanism
Yasutaka Kitahama, Masanobu Wakasa, 
and Yoshio Sakaguchi
pp 754 - 757; 
 
Are Vibrationally Excited Molecules a Clue for the 
"O3 Deficit Problem" and "HOx Dilemma" in the 
Middle Atmosphere?
A. J. C. Varandas
pp 758 - 769; 
 
Experimental Determination of the H2SO4/HNO3/H2O 
Phase Diagram in Regions of Stratospheric Importance
Keith D. Beyer, Anne R. Hansen, and Nick Raddatz
pp 770 - 780; 
 
Parametrization of 2-Bromo-2-Chloro-1,1,1-Trifluoroethane 
(Halothane) and Hexafluoroethane for Nonbonded Interactions
Zhanwu Liu, Yan Xu, Alexander C. Saladino, 
Troy Wymore, and Pei Tang
pp 781 - 786; 
 
Water Dimers in the Atmosphere II: Results from
the VRT(ASP-W)III Potential Surface
Nir Goldman, Claude Leforestier, and R. J. Saykally
pp 787 - 794; 
 
Atmospheric Chemistry of Pivalaldehyde and Isobutyraldehyde: 
Kinetics and Mechanisms of Reactions with Cl Atoms, 
Fate of (CH3)3CC(O) and (CH3)2CHC(O) Radicals, 
and Self-Reaction Kinetics of (CH3)3CC(O)O2 
and (CH3)2CHC(O)O2 Radicals
Jean-Paul Le Crane, Eric Villenave, Michael D. Hurley, 
Timothy J. Wallington, Satoshi Nishida, 
Kenshi Takahashi, and Yutaka Matsumi
pp 795 - 805;

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Forward-Backward Quantum Dynamics for Time Correlation Functions
Nancy Makri
pp 806 - 812; 
 
Theoretical Studies on the Hydrogen Bonding
Interaction of Complexes of Formic Acid with Water
Zhengyu Zhou, Yun Shi, and Xinming Zhou
pp 813 - 822; 
 
Theoretical Study of the Reaction Mechanism of ion 
Reactions of Disilenes and Digermenes with Haloalkanes
Ming-Der Su
pp 823 - 832; 
 
The Application of the Effective Fragment Potential Method 
to Molecular Anion Solvation: A Study of Ten 
Oxyanion-Water Clusters, A-(H2O)1-4
G. N. Merrill and S. P. Webb
pp 833 - 839;  
  
Theoretical Prediction of Properties of Triazidotri-s-triazine 
and Its Azido-Tetrazole Isomerism
Wenxu Zheng, Ning-Bew Wong, Xiaoqin Liang, 
Xinping Long, and Anmin Tian
pp 840 - 847; 
 
Insights into the Electronic Dynamics in Chemical Reactions
Daniel Aktah, Daniele Passerone, and Michele Parrinello
pp 848 - 854; 
 
Aromaticity of Planar B5- Anion in the MB5 (M = Li, Na, K, Rb, 
and Cs) and MB5+ (M = Be, Mg, Ca, and Sr) Clusters
Qian Shu Li and Qiao Jin
pp 855 - 860; 
 
Structure and Conformation of Perfluoromethyloxalate, 
CF3OC(O)-C(O)OCF3, in the Crystal and in the Gas Phase
Carlos O. Della Vedova, Roland Boese, Helge Willner, 
and Heinz Oberhammer
pp 861 - 865; 
 
Characteristic Substituent-Shift Models for Carbon 1s
Ionization Energies and Mean Dipole-Moment Derivatives
Roberto L. A. Haiduke, Anselmo E. de Oliveira, 
Ney H. Moreira, and Roy E. Bruns
pp 866 - 873;
 
Thermochemistry of Silicon-Hydrogen Compounds 
Generalized from Quantum Chemical Calculations
Hsi-Wu Wong, Juan Carlos Alva Nieto, 
Mark T. Swihart, and Linda J. Broadbelt
pp 874 - 897; 
 
Structural and Topological Characterization of 
the Three-Electron Bond: The SO Radicals
Isabelle Fourre and Jacqueline Berges
pp 898 - 906; 
 
Unexpected IR Characteristics of Hydrogen Bonds in 
the 18-Crown-6-Ether Complex of the H3O+ Hydronium 
Ion. Can the Location of the Protons Be Specified?
Evgenii S. Stoyanov and Christopher A. Reed
pp 907 - 913;
 
Modern Valence Bond Description of the Electronic 
Mechanisms of SN2 Identity Reactions
Joshua J. Blavins, David L. Cooper, and Peter B. Karadakov
pp 914 - 920; 

GENERAL PHYSICAL CHEMISTRY
 
Hydrogen Bonding Ability of Azabenzenes toward 
Thioacetamide, Acetamide, and Water
Jong Hyun Kim, Ho-Jin Lee, Eun-Jung Kim, 
Hee Jung Jung, Young-Sang Choi, 
Jeunghee Park, and Chang-Ju Yoon
pp 921 - 927;