The Journal of Physical Chemistry A, 1999, V 103, N 41, 14 Octobeer.

FEATURE ARTICLE


8125-8138
OH Radical Formation from the Gas-Phase Reaction of Ozone with 
Terminal Alkenes and the Relationship between Structure and Mechanism 
Suzanne E. Paulson, Myeong Y. Chung, and Alam S. Hasson 



ARTICLES




DYNAMICS AND RELAXATION


8139-8144
Solvent Effects on Electronic Coupling between Dialkylamino Groups in 
Aromatic Diamine Radical Cations 
Stephen F. Nelsen and Hieu Q. Tran 

8145-8155
Properties of the Intramolecular Excited Charge-Transfer States of 
Carbazol-9-yl Derivatives of Aromatic Ketones 
Andrzej Kapturkiewicz, Jacek Nowacki 

8156-8159
Photophysical Processes of Merocyanine 540 in Solutions and in Organized
Media 
Debabrata Mandal, Samir Kumar Pal, Dipankar Sukul, and Kankan Bhattacharyya 

8160-8168
On the Coupling Mechanism of a 780 nm Femtosecond Laser with Biphenyl, 
Diphenylmethane, and Diphenylethane 
Richard Billotto and Robert J. Levis 

8169-8172
Differential Decay of States Excited in Zero-Kinetic-Energy Spectroscopy 
William A. Chupka 

8173-8178
Photophysical Properties of Pseudo-Dihydro Derivatives of C70 
Sarah Foley, Mário N. Berberan-Santos, Aleksandre Fedorov, 
David J. McGarvey,Célia Santos, and Bárbara Gigante 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


8179-8186
A Vacuum Ultraviolet Photoionization Mass Spectrometric Study of 
Propylene Oxide in the Photon Energy Region of 10-40 eV 
Fuyi Liu, Luisi Sheng, Fei Qi, Hui Gao, Chengxiang Li, and 
Yunwu Zhang, Shuqin Yu, Kai-Chung Lau and Wai-Kee Li 

8187-8192
Formation of Nitrile Ylide by Addition of Carbene with Acetonitrile in 
a Low-Temperature Argon Matrix 
Ikuo Naito, Kazuki Nakamura, Tsutomu Kumagai, Akira Oku, Kenzi Hori,
Kenji Matsuda, and Hiizu Iwamura 

8193-8199
Interpretation of the Near-Infrared Absorption of Magnesium 
Phthalocyanine Complexes in Terms of Exciton Coupling Effects 
A. Endo, S. Matsumoto, and J. Mizuguchi 

8200-8206
The Platinum Hydrido-Methyl Complex:  A Frozen Reaction Intermediate? 
Uwe Achatz, Martin Beyer, Stefan Joos, Brigitte S. Fox, Gereon Niedner-Schatteburg, and
Vladimir E. Bondybey 

8207-8212
Laser-Induced Fluorescence Excitation Spectra of tert-Butoxy 
and 2-Butoxy Radicals 
Chuji Wang, Liat G. Shemesh, Wei Deng, Michael D. Lilien, and Theodore S. Dibble 

8213-8221
Singlet-Triplet Splittings in CX2 (X = F, Cl, Br, I) 
Dihalocarbenes via Negative Ion Photoelectron Spectroscopy 
Rebecca L. Schwartz, Gustavo E. Davico, Tanya M. Ramond, and W. Carl Lineberger 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


8222-8230
Oxidation of n-Heptane in a Premixed Laminar Flame 
Åsa T. Ingemarsson, Jörgen R. Pedersen, and Jim O. Olsson 

8231-8238
Characterization of HOCl Using Atmospheric Pressure Ionization 
Mass Spectrometry 
Tracy E. Caldwell, K. L. Foster, Thorsten Benter, Sarka Langer, 
John C. Hemminger, and Barbara J. Finlayson-Pitts 

8239-8245
A Study of the Thermal Decomposition of Azidoacetone by 
Photoelectron and Matrix Isolation Spectroscopy 
J. M. Dyke, A. P. Groves, A. Morris, and J. S. Ogden 
, M. I. Catarino, A. A. Dias, A. M. S. Oliveira, M. L. Costa, 
M. T. Barros, M. H. Cabral, and A. M. C. Moutinho 

8246-8251
Normal Modes for Chemical Reactions from Time Series Analysis 
Eugene Mihaliuk, Henrik Skdt, Finn Hynne, 
Preben Graae Srensen, and Kenneth Showalter 

8252-8256
Measurements of Phase Response in an Oscillatory Reaction and 
Deduction of Components of the Adjoint Eigenvector 
Ian Millett, William Vance, and John Ross 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


8257-8264
Structure of Uranium(VI) in Strong Alkaline Solutions.
 A Combined Theoretical and Experimental Investigation 
U. Wahlgren, H. Moll, I. Grenthe, B. Schimmelpfennig, 
L. Maron, V. Vallet, and O. Gropen 

8265-8271
High-Level ab Initio Calculations of Interaction Energies of 
C2H4-CH4 and C2H6-CH4 
Dimers:  A Model Study of CH/ Interaction 
Seiji Tsuzuki, Kazumasa Honda, Tadafumi Uchimaru, Masuhiro Mikami, and
Kazutoshi Tanabe 

8272-8278
Ab Initio Study for Selective Oxidation of Methane with NOx 
(x = 1, 2) 
Yoichi Yamaguchi, Yonghong Teng, Satoshi Shimomura, Kenji Tabata, and Eiji Suzuki 

8279-8287
Donor-Acceptor-Assisted Diels-Alder Reaction of Anthracene and 
Tetracyanoethylene 
Kristopher E. Wise and Ralph A. Wheeler 

8288-8294
Density Functional Calculations of NMR Chemical Shifts with the 
Inclusion of Spin-Orbit Coupling in Tungsten and Lead Compounds 
Antonio Rodriguez-Fortea, Pere Alemany, and Tom Ziegler 

8295-8302
On the Thermodynamic Stability of ArO4 
Roland Lindh, Wolfgang P. Kraemer, and Manfred Kämper 

8303-8308
Monte Carlo Simulation Approach to Internal Partition Functions for 
van der Waals Molecules 
A. Riganelli, W. Wang, and A. J. C. Varandas 

8309-8316
Sigma Bond Activation by Cooperative Interaction with ns2 Atoms: 
 Al+ + nH2 
Stephanie B. Sharp, Blake Lemoine, and Gregory I. Gellene 

8317-8327
Specific Solvation Effects on the Structures and Properties of Neutral 
and One-Electron Oxidized Formamidine-Formamide Complexes. A Theoretical 
ab Initio Study 
Nurbosyn U. Zhanpeisov and Jerzy Leszczynski 

8328-8336
Water Complexes and Hydrolysis of Silicon Tetrafluoride in the Gas Phase:  
An ab Initio Study 
Stanislav K. Ignatov and Petr G. Sennikov , Bruce S. Ault , Alexander A. Bagatur'yants 
, Igor V. Simdyanov, Alexey G. Razuvaev, and Eugene Ju. Klimov, Odd Gropen 

8337-8345
Local Geometry Trends and Torsional Sensitivity in
N-Formyl-L-alanyl-L-alanine 
Amide and the Limitations of the Dipeptide Approximation 
Ching-Hsing Yu and Lothar Schäfer , Michael Ramek 

8346-8350
Novel Stable Configurations and Tautomers of the Neutral and Deprotonated 
Hydroxamic Acids Predicted from High-Level ab Initio Calculations 
Jamal El Yazal and Yuan-Ping Pang