The Journal of Physical Chemistry A, 2001, V 105, N 29, 26 July.

ARTICLES

DYNAMICS AND RELAXATION

 6965-6970
 An Investigation of the Dynamic and Conformational Properties
of Alkylcyclohexanes Absorbed in Siliceous Zeolite ZSM-5 Yining
Huang and James Leech 

 6971-6975
 14N/15N Isotope Effect on the Electron Transfer Process between
N,N,N',N'-Tetramethyl-p-phenylenediamine and Wurster's Blue
Jian-Ming Lü, Xiao-Lin Wen, Long-Ming Wu, You-Cheng Liu, and Zhong-Li Liu 

 6976-6982
 Low-Temperature Rotational Relaxation of N2 in Collisions with
Ne F. J. Aoiz, L. Bañares, V. J. Herrero, B. Martínez-Haya, M.
Menéndez, P. Quintana, I. Tanarro, and E. Verdasco

 SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 6983-6990
 Discrimination and Interpretation of Spectral Phenomena by
Room-Temperature Single-Molecule Spectroscopy Christian Blum,
Frank Stracke, Stefan Becker, Klaus Müllen, and Alfred J. Meixner 

 6991-6997
 Predominant Conformations of (2R,3R)-(-)-2,3-Butanediol Feng
Wang and P. L. Polavarapu 

 6998-7003
 Reactions of Fe with H2O and FeO with H2. A Combined Matrix
Isolation FTIR and Theoretical Study Luning Zhang, Mingfei
Zhou, Limin Shao, Wenning Wang, Kangnian Fan, and Qizong Qin

7004-7010
 Direct Molecular Dynamics Using Quantum Chemical Hamiltonians:
C60 Impact on a Passive Surface Ya-Wen Hsiao, Keith Runge,
Marshall G. Cory, and Rodney J. Bartlett 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 7011-7024
 Mechanism of the Hydrolysis of Halogen Nitrates in Small Water
Clusters Studied by Electronic Structure Methods Jonathan P.
McNamara and Ian H. Hillier 

 7025-7030
 Methane Chemistry in the Hot Supersonic Nozzle L. Romm, Y. H.
Kim, and G. A. Somorjai 

 7031-7036
Simultaneous Uptake of DMS and Ozone on Water M. Gershenzon and
P. Davidovits , J. T. Jayne, C. E. Kolb, and D. R. Worsnop

7037-7046
 First-Principles Theoretical Study of Molecular HCl Adsorption
on a Hexagonal Ice (0001) Surface Yves A. Mantz, Franz M.
Geiger, Luisa T. Molina, and Mario J. Molina , Bernhardt L.Trout 

 7047-7056
 Kinetic Study of the Reactions of CaO with H2O, CO2, O2, and
O3: Implications for Calcium Chemistry in the Mesosphere J. M.
C. Plane and R. J. Rollason 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 7057-7071
 Excited-State Molecular Dynamics Simulations of Conjugated
Oligomers Using the Electronic Density Matrix Matteo Tommasini,
Giuseppe Zerbi, Vladimir Chernyak, and Shaul Mukamel

7072-7078
 Density Functional Theory and Ab Initio Direct Dynamics Studies
on the Hydrogen Abstraction Reactions of SiH4-n(CH3)n + H
SiH3-n(CH3)n + H2, n = 1-3 Xin Yu, Shen-Min Li,
Zhen-Feng Xu, Ze-Sheng Li, and Chia-Chung Sun 

 7079-7084
 A Topological Study of the Transition States of the Hydrogen
Exchange and Dehydrogenation Reactions of Methane on a Zeolite
Cluster N. B. Okulik , R. Pis Diez and A. H. Jubert , P. M.
Esteves and C. J. A. Mota 

 7085-7090
 Theoretical Study on Structures and Stability of HCCNN+ Isomers
Yi-Hong Ding, Ze-Sheng Li, Xu-Ri Huang, and Chia-Chung Sun

 7091-7095
 Photoinduced Electron Attachment to N2 Adsorbed on Platinum J.
L. Whitten 

 7096-7105
Addition vs Abstraction Reactions of the Methyl Radical with
Nitrones, Alkenes, Aldehydes, and Imines Susan L. Boyd and
Russell J. Boyd 

 7106-7110 Structure and Bonding of the Polytopic Molecule Li[BO]. A
Theoretical Investigation Aristotle Papakondylis and Aristides
Mavridis 

 7111-7117
 Structure and Bonding in Dinuclear Oxoanions of V, Nb, Ta, Mo,
and W Adam J. Bridgeman and Germán Cavigliasso 

 7118-7125
 Theoretical Study of the CH···O Interaction in
Fluoromethanes·H2O and Chloromethanes·H2O Complexes Eugene S.
Kryachko and Thérèse Zeegers-Huyskens 

 7126-7134
 Theoretical Study of Guanine from Gas Phase to Aqueous
Solution: Role of Tautomerism and Its Implications in
Absorption and Emission Spectra Benedetta Mennucci, Alessandro
Toniolo, and Jacopo Tomasi