Journal of Physical Chemistry A, 1999, V 103, N 34, 26 August.

ARTICLES

DYNAMICS AND RELAXATION

6685-6690
Pressure Effect on Hydrophobic Hydration:  Rotational Dynamics of Benzene 
Chihiro Wakai, Nobuyuki Matubayasi, and Masaru Nakahara 

6691-6703
Distributions of Site-Hopping Geometries and Rates for Benzene Adsorbed on Ag-Y Zeolite 
A. Gédéon, D. E. Favre, D. Reichert, J. MacNeil, and B. F. Chmelka 

6704-6714
Intramolecular Energy Transfer in a Covalently Linked Copper(II) 
Porphyrin-Free Base Porphyrin Dimer:  Novel Spin Polarization in the Energy Acceptor 
Motoko Asano-Someda, Art van der Est, Uwe Krüger, Dietmar Stehlik, 
Youkoh Kaizu, and Haim Levanon 

6715-6720
On the J-Shift Approximation in Quantum Reaction Dynamics 
Katsuyuki Nobusada and Hiroki Nakamura 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

6721-6725
Matrix Isolation and ab Initio Study of the Reactions of Magnesium Atoms and 
Clusters with CO2, C2H4, and 
CO2/C2H4 Mixtures:  Formation of Cyclic Complexes 
Victor N. Solov'ev, Evgenii V. Polikarpov, Aleksandr V. Nemukhin, and Gleb B. Sergeev 

6726-6739
Vibrational Spectroscopy of the Three Isomers of 1,4-Difluorobutadiene 
Norman C. Craig, Christopher F. Neese, Tuan N. Nguyen, 
Catherine M. Oertel, and Laura Pedraza, Anne M. Chaka 

6740-6745
Nanochemistry:  Iron Cluster Reactions with Methyl Iodide 
B. E. McCarter, S. Bililign, C. S. Feigerle, and John C. Miller 

6746-6756
Two-Dimensional Penning Ionization Electron Spectroscopy of NNO, HCNO, and HNNN:  
Electronic Structure and the Interaction Potential with He*(23S) 
Metastable and Li(22S) Ground State Atoms 
Tibor Pasinszki, Naoki Kishimoto, and Koichi Ohno 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
6757-6765
Effect of Oxygen on the Belousov-Zhabotinsky Reaction at Low Cerium Concentrations 
Anca-Maria Petrascu and Michel H. J. Koch , Horst-Dieter Försterling 

6766-6771
Direct Kinetics Study of the Reaction of Peroxyacetyl Radical with 
NO between 218 and 370 K 
Tamar Moise, Wolfgang Denzer, and Yinon Rudich 

6772-6777
Theoretical Study on Spectroscopic Properties of Positive, Neutral, 
and Negative Species of BCl2 and AlCl2:  
The Stability of the Negative Species 
Kyoung K. Baeck and Heechol Choi, Suehiro Iwata 

6778-6785
How Rapidly Does the SH Radical React with N2O? 
Scott C. Herndon, Karl D. Froyd, Edward R. Lovejoy, and A. R. Ravishankara 

6786-6792

Structure of the Sulfuric Acid-Ammonia System and the Effect of
Water Molecules in the Gas Phase 
Laura J. Larson, Aaron Largent and Fu-Ming Tao 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


6793-6799
Molecular Electrostatic Potential as Reactivity Index in Hydrogen Bonding:  
Ab Initio Molecular Orbital Study of Complexes of Nitrile and Carbonyl
 Compounds with Hydrogen Fluoride 
Boris Galabov and Petia Bobadova-Parvanova 

6800-6804
A Theoretical Investigation of the Torsional Potential in 
3,3'-Dimethyl-2,2'-bithiophene and 3,4'-Dimethyl-2,2'-bithiophene:  
A Comparison between HF, MP2, and DFT Theory 
Alessandro Bongini and Andrea Bottoni 

6805-6810
Electron Tunneling: A Scattering Problem and a Chemical Approach. 
Interpretation of STM O2 Image 
V. Robert 

6811-6819
Hydrogen Bonding in Water Clusters:  Pair and Many-Body Interactions 
from Symmetry-Adapted Perturbation Theory 
Anne Milet and Robert Moszynski, Paul E. S. Wormer and Ad van der Avoird 

6820-6824
Anionic 5-endo-trig Cyclization of Terminally Difluorinated 
Homoallylic Alkoxides 
Takashi Yamazaki, Shuichi Hiraoka, Johei Sakamoto, and Tomoya Kitazume 

6825-6834
Density Functional Study of Tetra-Atomic Clusters and Complexes of 
the Group 16 Elements:  Trends in Structure and Bonding 
Galina Orlova and John D. Goddard 

6835-6844
Excitation Energies for Transition Metal Compounds from Time-Dependent 
Density Functional Theory. Applications to MnO4-, 
Ni(CO)4, and Mn2(CO)10 
S. J. A. van Gisbergen, J. A. Groeneveld, A. Rosa, J. G. Snijders, and E. J. Baerends 

6845-6850
Theoretical Study of Aluminum and Gallium Atom Complexes with CO2, 
CS2, and COS 
Jarosaw Panek and Zdzisaw Latajka 

6851-6861
Time-Resolved Resonance Raman and Density Functional Study of the Radical Cation of Promazine 
Duohai Pan, Lian C. T. Shoute, and David Lee Phillips 

6862-6872
Ab Initio Study of the Hydrolysis Reactions of Neutral and Anionic 
Mg-Pyrophosphate Complexes in the Gas Phase 
Humberto Saint-Martin and Luis E. Vicent 

6873-6879
Ionization Dynamics of the Benzene-HF Complex:  A Direct ab Initio Dynamics Study 
Hiroto Tachikawa 

6880-6886
Application of Relativistic Quantum Chemistry to the Electronic Energy Levels of the Uranyl Ion 
Zhiyong Zhang and Russell M. Pitzer