The Journal of Physical Chemistry A, 1999, V 103, N 43, 28 October.

ARTICLES


DYNAMICS AND RELAXATION


8573-8578
Aspects of the Belousov-Zhabotinsky Reaction in Polymer Gels 
Ryo Yoshida, Satoko Onodera, Tomohiko Yamaguchi, and Etsuo Kokufuta 

8579-8584
Excitation of Pseudorotational Vibronic Motion through Femtosecond 
Pump-Probe Spectroscopy:  A 2D Computational Study 
Jörg Schön and Horst Köppel 

8585-8594
Excited State Proton Transfer in Indole-2-carboxylic Acid and 
Indole-5-carboxylic Acid 
Prakriti Ranjan Bangal and Sankar Chakravorti 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


8595-8603
Liquid Structure of Acetic Acid Studied by Raman Spectroscopy and Ab 
Initio Molecular Orbital Calculations 
Takakazu Nakabayashi, Kentaroh Kosugi, and Nobuyuki Nishi 

8604-8611
NMR Spectroscopy in the Presence of Strong Ac Electric Fields:  
Degree of Alignment of Polar Molecules 
Alexey Peshkovsky and Ann E. McDermott 

8612-8619
Ionization Energy of p-Fluoroaniline and Vibrational Levels of 
p-Fluoroaniline Cation Determined by Mass-Analyzed Threshold Ionization 
Spectroscopy 
W. B. Tzeng and J. L. Lin 

8620-8624
Direct Absorption Spectroscopy of Water Clusters 
Lisa M. Goss, Steven W. Sharpe, Thomas A. Blake, Veronica Vaida, and
James W. Brault 

8625-8633
Ionization Energy of Methylene Revisited:  Improved Values for the Enthalpy 
of Formation of CH2 and the Bond Dissociation Energy of 
CH3 via Simultaneous Solution of the Local Thermochemical Network 
Branko Ruscic, Maritoni Litorja, and Robert L. Asher 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


8634-8639
Gas-Phase Ion-Molecule Reactions of Neutral C60 With the 
Plasmas of Alkyl Methyl Ethers and Primary Alcohols 
Li Ma, Ziyang Liu, Weijie Wang, Xinghua Guo, and Shuying Liu 

8640-8649
Heterogeneous Interaction and Reaction of HOBr on Ice Films 
Liang Chu and Liang T. Chu 

8650-8656
Measurements of Thermal Rate Constants for the Reactions of 
N(2D,2P) with C2H4 
and C2D4 between 225 and 292 K 
Kei Sato, Kazuaki Misawa, Yasuhide Kobayashi, Miho Matsui, and 
Shigeru Tsunashima, Yuzuru Kurosaki and Toshiyuki Takayanagi 

8657-8663
Atmospheric Chemistry of Tetrachloroethene (Cl2C=CCl2):  
Products of Chlorine Atom Initiated Oxidation 
L. P. Thüner, I. Barnes, and K. H. Becker, T. J. Wallington and 
L. K. Christensen, J. J. Orlando and B. Ramacher 

8664-8671
Thermal Dissociation of Gaseous Bradykinin Ions 
David J. Butcher, Keiji G. Asano, Douglas E. Goeringer, and Scott A. McLuckey 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


8672-8677
C-H···O Bonded Dimers in Liquid 4-Methoxybenzaldehyde:  
A Study by NMR, Vibrational Spectroscopy, and ab Initio Calculations 
N. Karger, A. M. Amorim da Costa, and Paulo J. A. Ribeiro-Claro 

8678-8683
Ab Initio Molecular Dynamics Study of Crystalline Nitric Acid Trihydrate 
Doris M. Sullivan, Ken Bagchi, Mark E. Tuckerman, and Michael L. Klein 

8684-8690
The Structure of Nitromalonamide:  A Combined Neutron-Diffraction and 
Computational Study of a Very Short Hydrogen Bond 
Georg K. H. Madsen, Claire Wilson, Thomas M. Nymand,Garry J. McIntyre, and
Finn K. Larsen 

8691-8699
Molecular Reactivity in the Ground and Excited Electronic States through 
Density-Dependent Local and Global Reactivity Parameters 
P. K. Chattaraj and A. Poddar 

8700-8705
Diaminoalkanes as Models for Bases that Dicoordinate the Proton:  
An Evaluation of the Kinetic Method for Estimating Their Proton Affinities 
Zhe Wang, Ivan K. Chu, Christopher F. Rodriquez, Alan C. Hopkinson, 
and K. W. Michael Siu 

8706-8715
Intramolecular Hydrogen Bonding and Anomeric Interactions in 
HnXCH2YHm 
(XHn, YHm = OH, NH2, 
SH, PH2):  A Global Conformational Analysis 
Y.-P. Chang and T.-M. Su 

8716-8724
Ground State Properties of the Nucleic Acid Constituents Studied by Density 
Functional Calculations. I. Conformational Features of Ribose,
Dimethyl Phosphate, Uridine, Cytidine, 5'-Methyl Phosphate-Uridine, 
and 3'-Methyl Phosphate-Uridine 
Nicolas Leulliot and Mahmoud Ghomi, Giovanni Scalmani, Gaston Berthier 

8725-8732
A Theoretical Study of the Molecular Mechanism for the Carboxylation 
Chemistry in Rubisco 
M. Oliva, V. S. Safont, and J. Andrés , O. Tapia 

8733-8737
G2 and G3 Calculations of Enthalpies of Hydrogenation, Isomerization, 
and Formation of Bi-, Tri-, and Tetracyclic C7 Hydrocarbons:  
The Norbornadiene Cycle 
Donald W. Rogers and Frank J. McLafferty 

8738-8746
A Tight-Binding Treatment for 13C NMR Spectra of Fullerenes 
T. Heine, G. Seifert,P. W. Fowler, and F. Zerbetto