The Journal of Physical Chemistry A, 2001, V 105, N 11, 22 March.

ARON KUPPERMANN FESTSCHRIFT


 2127-2128 
Tribute to Aron Kuppermann  
 
 2129-2131 
Autobiographical Notes of Aron Kuppermann 

 2132-2134 
Self-Assessment of Scientific Contributions of Aron Kuppermann

 2135-2135 
Colleagues of Aron Kuppermann  
 
 2136-2141 
Publications of Aron Kuppermann  

ARTICLES


 2142-2146 
 Do Nitrogen-Atom-Containing Endohedral Fullerenes Undergo the
 Shrink-Wrap Mechanism? Baopeng Cao, Tikva Peres, R. James
 Cross, Jr., Martin Saunders, and Chava Lifshitz 

 2147-2155 
 Theoretical Investigations of Intramolecular Energy Transfer
 Rates and Pathways for Vinyl Bromide on an ab Initio
 Potential-Energy Surface Asif Rahaman and Lionel M. Raff

2156-2172 
 Trajectory Investigations of the Dissociation Dynamics of Vinyl
 Bromide on an ab Initio Potential-Energy Surface Asif Rahaman
 and Lionel M. Raff

 2173-2182 
 Time-Dependent Quantum Mechanical Calculations on the Formation
 of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal
 Mechanism Anthony J. H. M. Meijer, Adam J. Farebrother, and
 David C. Clary , Andrew J. Fisher  

 2183-2191
 High Resolution Pulsed Field Ionization-Photoelectron Bands for
 CS2+(Ă2[Image]u): An Experimental and Theoretical Study Jianbo
 Liu , M. Hochlaf, G. Chambaud, and P. Rosmus , C. Y. Ng

 2192-2197
 Ab Initio Direct Dynamics Study of OOH + H [Image] H2 + 3O2
 Glenn M. Thurman and Rozeanne Steckler 

 2198-2208
 On the Conical Intersection and the Possibility of a New
 Assignment for Molecular Systems Michael Baer 

 2209-2215 Quantum Mechanical Studies on the BrO + ClO Reaction Demetrios
 K. Papayannis, Agnie M. Kosmas, and Vasilios S. Melissas

2216-2224 Mechanistic and Energetic Details of Adduct Formation and
 [Image]-Bond Activation in Zr+(H2)n Clusters John E. Bushnell,
 Paul R. Kemper, Petra van Koppen, and Michael T. Bowers

2225-2227 
 Electron-Impact Spectroscopy Investigation of Diketene I. M.
 Xavier, Jr., K. N. Walzl, and M. R. Giorgi 

2228-2233 
 Distribution of Rovibrational Product States for the "Prompt"
 Reaction H + D2(v = 0, j = 0-4) [Image] HD(v' = 1,2, j') + D
 near 1.6 eV Collision Energy Brian D. Bean, Félix
 Fernández-Alonso, and Richard N. Zare  

 2234-2239 
 Photodissociation Dynamics of tert-Butyl Nitrite on Ag(111):
 Characterization of Translationally and Internally Excited NO
 Fragments W. Zhao, C. Kim, and J. M. White , S. K. Kim

 2240-2245 
 An Interpolated ab Initio Quantum Scattering Study of the
 Temperature Dependence of the CH3 + HBr [Image] CH4 + Br
 Reaction Hua-Gen Yu and Gunnar Nyman  

 2246-2250
 Vibrational Calculations for the HD2 First-Excited Electronic
 State Using a Coordinate-Transformation Technique Z. R. Xu and
 A. J. C. Varandas 
 
 2251-2256
 Coriolis-Coupled Quantum Dynamics for O(1D) + H2 [Image] OH + H
 Thomas E. Carroll and Evelyn M. Goldfield 

 2257-2265
 Geometry, Energy, and Vibrational Frequencies of the
 Bis(dicyanomethylene)squarilium Dianion Bruno Lunelli, Magda
 Monari, and Andrea Bottoni 

 2266-2269
 Photochemical Generation of Methane within NO-Ethene
 Heteroclusters Robert L. DeLeon, Eric F. Rexer, and James F.
 Garvey 
 
 2270-2280
 Above-Threshold Effects in the Photodissociation and
 Photoionization of Iodobenzene Sujatha Unny, Yan Du, Langchi
 Zhu, Kaspars Truhins, and Robert J. Gordon , Akihiro Sugita and
 Masahiro Kawasaki , Y. Matsumi , Ralph Delmdahl and David H.
 Parker , Attila Berces 

 2281-2284
 Possible Mechanism of OH Frequency Shift Dynamics in Water Yuri
 Georgievskii and R. A. Marcus 

 2285-2297
 A Quasiclassical Trajectory Study of the Cl + HCN [Image] HCl +
 CN Reaction Dynamics. Microscopic Reaction Mechanism of the
 H(Cl) + HCN [Image] H2(HCl) + CN Reactions Diego Troya , Miguel
 González , Guosheng Wu and George C. Schatz 

 2298-2307
 Thermal and State-Selected Rate Coefficients for the O(3P) +
 HCl Reaction and New Calculations of the Barrier Height and
 Width Sergei Skokov, Shengli Zou, Joel M. Bowman, Thomas C.
 Allison, Donald G. Truhlar, Yongjing Lin, B. Ramachandran,
 Bruce C. Garrett, and Benjamin J. Lynch 

 2308-2311
 Transition Moments between w3[Image]g State and the First Three
3[Image]u and 3[Image]u States of the Hydrogen Molecule Gra
 [Image]yna Staszewska 

 2312-2320
 Equal Thermodynamic Distance and Equipartition of Forces
 Principles Applied to Binary Distillation Erik Sauar, Gino
 Siragusa, and Bjarne Andresen  

 2321-2329
 Reactive Scattering Dynamics on Conically Intersecting
 Potential Energy Surfaces: The H + H2 Exchange Reaction Susanta
 Mahapatra, Horst Köppel, and Lorenz S. Cederbaum

 2330-2339
 Quantum Mechanical Calculation of Reaction Probabilities and
 Branching Ratios for the O(1D) + HD [Image] OH(OD) + D(H)
 Reaction on the [Image]A' and 11A'' Adiabatic Potential Energy
 Surfaces Marlies Hankel and Gabriel G. Balint-Kurti , Stephen
 K. Gray 
 
 2340-2347
 Application of Quantum-Dressed Classical Mechanics: Molecule
 Surface Scattering G. D. Billing

 2348-2351
 On the Quenching of Rovibrationally Excited Molecular Oxygen at
 Ultracold Temperatures N. Balakrishnan and A. Dalgarno

 2352-2360
 Beyond the Potential Energy Surface: Ab initio Corrections to
 the Born-Oppenheimer Approximation for H2O David W. Schwenke

 2361-2368
 Li + HF: A Case Study to Develop Novel Computational
 Technologies for Reactive Scattering Antonio Laganŕ and Stefano
 Crocchianti 
 
 2369-2373
 Dynamics of Dissociative Recombination of Molecular Ions:
 Three-Body Breakup of Triatomic Di-Hydrides Sheldon Datz

 2374-2383
 Substituent Effects in the Binding of Alkali Metal Ions to
 Pyridines, Studied by Threshold Collision-Induced Dissociation
 and ab Initio Theory: The Methylpyridines M. T. Rodgers

 2384-2390
 Absorption Spectra of Trapped Electrons in Nonpolar Glasses:
 Oscillator Strengths and Threshold Behaviors S. D. McGrane and
 S. Lipsky  
 
 2391-2400
 Theoretical Modeling of the Hydrogen Abstraction Reaction of
 Fluoromethane by the Hydroxyl Radical Pei-Yin Lien, Ru-Min You,
 and Wei-Ping Hu

 2401-2409
 Potential Energy Surfaces for F-H2 and Cl-H2: Long-Range
 Interactions and Nonadiabatic Couplings Vincenzo Aquilanti,

 Simonetta Cavalli,
 Fernando Pirani, and Alessandro Volpi , David Cappelletti* 
 
 2410-2413
 A Mechanical Analogue of Monotropism: Ordering of an Ensemble
 of Hemispheres Bruno Lunelli 

 2414-2422
 Dynamics of the N(2D) + D2 Reaction from Crossed-Beam and
 Quasiclassical Trajectory Studies Nadia Balucani, Michele
 Alagia, Laura Cartechini, Piergiorgio Casavecchia, and Gian
 Gualberto Volpi , Lisa A. Pederson and George C. Schatz

 2423-2426
 Adiabatic Rotation, Centrifugal Sudden, and Exact Calculations
 of Rotationally Mediated Fermi Resonances in HOCl Shengli Zou,
 Sergei Skokov, and Joel M. Bowman 

 2427-2434
 Branching Ratio and Pressure Dependent Rate Constants of
 Multichannel Unimolecular Decomposition of Gas-Phase
 [Image]-HMX: An Ab Initio Dynamics Study Shaowen Zhang and
 Thanh N. Truong  -  -
 
 2435-2443
 Production and Study of Triply Charged Diatomic Ions with
 Femtosecond Pulses: Application to [Image] R. J. Verver, D. R.
 Matusek, and J. S. Wright , G. N. Gibson , R. Bhardwaj, S.
 Aseyev, D. M. Villeneuve, P. B. Corkum, and M. Yu. Ivanov
 
 2444-2452
 Collision-Induced Dissociation and Theoretical Studies of
 Cu+-Dimethyl Ether Complexes Hideya Koizumi, Xiao-Guang Zhang,
 and P. B. Armentrout

 2453-2457
 Anharmonic Semiclassical Variational Transition-State Theory
 Rate Constant Model for H Atom Association with Different Sites
 on the Diamond {111} Surface Kihyung Song , William L. Hase

 2458-2467
 Calculation of the Raman Spectrum of Photodissociating H2S
 around 195 nm Dimitris Skouteris, Bernd Hartke, and
 Hans-Joachim Werner
 
 2468-2473
 Adsorbate Vibrational Effects on the Photodesorption of CO from
 Cu(001) D. A. Micha and A. Santana 

 2474-2484
 Quasi-Classical Trajectory Studies of the Insertion Reactions
 S(1D) + H2, HD, and D2 Sheng Der Chao and Rex T. Skodje