The Journal of Physical Chemistry A, 2000, V 104, N 31, 10 August.

LETTERS

7161-7164
Formation of Buckminsterfullerene and Its Perchlorinated Fragments by Laser 
Ablation of Perchloroacenaphthylene 
Su-Yuan Xie, Rong-Bin Huang, Jie Ding, La-Jia Yu, Yu-Huang Wang, and Lan-Sun 
Zheng 

7165-7166
4hJ(31P-31P) Coupling Constants through N-
H+-N Hydrogen Bonds:  A Comparsion of Computed ab Initio and 
Experimental Data 
Janet E. Del Bene, S. Ajith Perera, Rodney J. Bartlett, Ibon Alkorta, and 
José Elguero 


ARTICLES

DYNAMICS AND RELAXATION

7167-7175
(Sub)picosecond Fluorescence Upconversion Studies of Intermolecular Proton
Transfer of Dipyrido[2,3-a:3',2'-i]carbazole and Related Compounds 
D. Marks, H. Zhang, P. Borowicz, J. Waluk, and M. Glasbeek 

7176-7180
Study of Photocarrier Generation Mechanism in Bisazo Pigments from 1,5-
Diaminoanthraquinone by Electron Spin Resonance 
Zhongping Huang, Guoping Wang, and Qingsen Yu , Jinhong Pan 

7181-7188
Why Are Collision Induced Rotational Distributions Unresponsive to Kinematic 
Differences? 
Suzanne Clare, Alison J. Marks, and Anthony J. McCaffery 

7189-7199
Dynamics of Atomic and Molecular Hydrogen Elimination from Small Alkanes
Following 157-nm Excitation 
S. M. Wu, J. J. Lin, Y. T. Lee, and X. Yang 

7200-7208
Improved Interpolated Correction Schemes for Dual-Level Direct Dynamics
 Calculation 
Chun-Huei Huang, Ru-Min You, Pei-Yin Lian, and Wei-Ping Hu 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

7209-7217
Flame Synthesis of Metal-Catalyzed Single-Wall Carbon Nanotubes 
Randall L. Vander Wal , Thomas M. Ticich and Valerie E. Curtis 

7218-7223
Diagnosis of a CH4/N2 Microwave Discharge:  
Ionic and Neutral Species 
Michael Kareev, Michel Sablier, and Toshihiro Fujii 

7224-7226
Absorption Spectra of Metallofullerenes M@C82 of Lanthanoids 
Kazuhiko Akiyama, Keisuke Sueki, Takeshi Kodama, Koichi Kikuchi, Isao Ikemoto, 
Motomi Katada, and Hiromichi Nakahara 

7227-7232
Autoionization-Detected Infrared Spectroscopy of Jet-Cooled Naphthol Cations 
Eiji Fujimaki, Yoshiteru Matsumoto, Asuka Fujii, Takayuki Ebata, and Naohiko
Mikami 

7233-7238
nfrared Depletion Spectroscopy Suggests Mode-Specific Vibrational Dynamics in
the Hydrogen-Bonded Aniline-Diethyl Ether (C6H5-
NH2···OC4H10) Complex 
P. K. Chowdhury 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

7239-7245
Kinetics of the Reaction between Acetylperoxy and Ethylperoxy Radicals 
M. Matti Maricq and Joseph J. Szente 

7246-7254
OH Radical Yields from the Ozone Reaction with Cycloalkenes 
Jill D. Fenske, Keith T. Kuwata, K. N. Houk, and Suzanne E. Paulson 

7255-7260
Atmospheric Chemistry of CF3CF=CF2:  Kinetics and 
Mechanism of Its Reactions with OH Radicals, Cl Atoms, and Ozone 
M. Mashino, Y. Ninomiya, and M. Kawasaki, T. J. Wallington and M. D. Hurley 

7261-7267
Lifetime and Reorientation Measurements of 7-Azaindole and 7-Azatryptophan in 
Aqueous Adipic Acid Solutions:  The Significance of Pendant Functionalities in 
Solution Phase Association Processes 
L. Kelepouris and G. J. Blanchard 

7268-7277
Heterogeneous Chemistry of HOBr on Different Types of Ice and on Ice Doped with
 HCl, HBr, and HNO3 at 175 K < T < 215 K 
L. Chaix, A. Allanic, and M. J. Rossi 

7278-7283
Theoretical Photoabsorption Spectra of ClOOCl and Cl2O 
A. Toniolo, M. Persico, and D. Pitea 

7284-7293
Gas-Phase Br2 Production in Heterogeneous Reactions of 
Cl2, HOCl, and BrCl with Halide-Ice Surfaces 
Amy K. Huff and Jonathan P. D. Abbatt 

7294-7303
Dynamics of Chemical and Charge-Transfer Reactions of Molecular Dications:  III.
Beam Scattering and Total Cross Section Data for Processes in the System 
CO22+ + D2 
Libor Mrázek, Jan abka, Zdenek Dolejek, Jan Hruák, and Zdenek 
Herman 

7304-7307
Thermal Rate Constants of the NO2 Fission Reaction of Gas Phase -HMX:
A Direct ab Initio Dynamics Study 
Shaowen Zhang and Thanh N. Truong 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

7308-7313
Quantum-Admixture Model of High-Spin Low-Spin Transition for Fe(III) 
Complex Molecules 
Kuang Xiao-Yu, Zhou Kang-Wei 

7314-7323
Linearities in Gibbs Energies of Transfer of Alkali Metal Cations between Two 
Solvents and a New Aspect of Resolvation Related to Gas Phase Data 
Jií Rais, Tatsuhiro Okada 

7324-7332
Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 16. 
Oxidative Promotion of the Migratory Insertion of Carbon Monoxide in 
Cyclopentadienylmethyldicarbonyliron (II) 
Zexing Cao, Shuqiang Niu, and Michael B. Hall 

7333-7338
A Force Field for Phosphoric Acid:  Comparison of Simulated with Experimental
Data in the Solid and Liquid State 
Stéphane A. H. Spieser, Bas R. Leeflang, Loes M. J. Kroon-Batenburg, and 
Jan Kroon 


7339-7345
Atomic Partitioning of Molecular Electrostatic Potentials 
D. S. Kosov and P. L. A. Popelier 

7346-7352
Protonation of Nucleic Acid Bases. A Comprehensive Post-Hartree-Fock Study of 
the Energetics and Proton Affinities 
Yevgeniy Podolyan, Leonid Gorb, and Jerzy Leszczynski 

7353-7358
Structures and Properties of the Planar G·C·G·C Tetrads:
Ab Initio HF and DFT Studies 
Jiande Gu, Jerzy Leszczynski 

7359-7369
Temporary Anion States of Dichloroalkanes and Selected Polychloroalkanes 
Kayvan Aflatooni, Gordon A. Gallup, and Paul D. Burrow 

7370-7374
Molecules MH3 (M = Cr, Mo, W) Are Pyramidal:  CCSD(T) Ab Initio Study
of Structure and Vibrational Dynamics 
Nikolai B. Balabanov and James E. Boggs 

7375-7385
Toward a Low-Barrier Transition-Metal-Free Catalysis of Hydrogenation Reactions:
  A Theoretical Mechanistic Study of HAlX4-Catalyzed Hydrogenations 
of Ethene (X = F, Cl, and Br) 
Stefan Senger and Leo Radom 

7386-7397
Molecular Vibrations of Pteridine and Two Symmetric Tetraazanaphthalenes 
Jeanette K. Hurst, Paul Wormell, George B. Bacskay, and Anthony R. Lacey 

7398-7403
Theoretical 13C NMR Spectra of IPR Isomers of Fullerenes
C60, C70, C72, C74, C76,
and C78 Studied by Density Functional Theory 
Guangyu Sun and Miklos Kertesz 

GENERAL PHYSICAL CHEMISTRY

7404-7407
Liquid-Liquid Equilibria of Dendrimer in Polar Solvent 
Jeong Gyu Jang, Si-Tae Noh, and Young Chan Bae 

ADDITIONS AND CORRECTIONS

7408-7408
Reactions of Tantalum Oxide Cluster Cations with 1-Butene, 1,3-Butadiene,
 and Benzene 
K. A. Zemski, R. C. Bell, and A. W. Castleman, Jr.: