The Journal of Physical Chemistry A, 1999, V 103, N 45, 11 November.

LETTERS



8909-8914
Pyramidal Structures of Lanthanide-C60 Clusters (
Lnn(C60)m:  Ln =
Eu and Ho)  
Satoshi Nagao, Yuichi Negishi,Akiko Kato, Yoshiaki Nakamura, and Atsushi Nakajima 
, Koji Kaya 


ARTICLES



DYNAMICS AND RELAXATION


8915-8920
Isotope and Temperature Dependence of Dual Emission in a Mononuclear Ruthenium(II) P
olypyridyl Compound 
Tia E. Keyes, Christine M. O'Connor, Una O'Dwyer, Colin G. Coates, Philip Callaghan,
John J. McGarvey, and Johannes G. Vos 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


8921-8926
Nuclear Magnetic Resonance Coherence-Order- and Spin-State-Selective 
Correlation in I2S Spin Systems 
T. S. Untidt, T. Schulte-Herbrüggen, 
O. W. Srensen, and N. C. Nielsen 

8927-8934
Assignment of the + State of the Chlorobenzene Cation Using P
hotoinduced Rydberg Ionization (PIRI) Spectroscopy 
R. Anand, J. D. Hofstein, J. E. LeClaire, and P. M. Johnson, C. Cossart-Magos 

8935-8945
Fourier Transform Ultraviolet Spectroscopy of the A 23/2X
23/2
Transition of BrO  David M. Wilmouth,  Thomas F. Hanisco, 
Neil M. Donahue, and James G. Anderson 
8946-8951

Inversion Motion and S1 Equilibrium Geometry of 4-Fluoroaniline:  
Molecular Beam High-Resolution Spectroscopy and ab Initio Calculations 
M. Becucci, E. Castellucci, I. López-Tocón, 
G. Pietraperzia, and P. R. Salvi, W. Caminati 

8952-8958
High Pressure Raman Spectroscopy of Nitric Acid 
Hervé Lucas and Jean-Pierre Petitet 

8959-8965
Isotope Shifts and Intersystem Crossing for Pentacene in p-Terphenyl. 
A Model System for Single-Molecule Dynamics 
A. C. J. Brouwer, E. J. J. Groenen, M. C. van Hemert, and J. Schmidt 

8966-8968
Observation of Electron Bubbles in para-H2-D2 (
HD) Mixtures by High-Resolution ESR Spectroscopy 
Takayuki Kumada, Shoji Mori, Jun Kumagai, Yasuyuki Aratono, and Tetsuo Miyazaki 

8969-8975
Two-Photon Spectra of Stiff Stilbenes:  A Contribution to the Assignment o
f the Low Lying Electronically Excited States of the Stilbene System 
Georg Hohlneicher and Ralph Wrzal, Dieter Lenoir and Rudolf Frank 

8976-8984
Electronic Structure Measurements of Oxidized Flavins and Flavin Complexes 
Using Stark-Effect Spectroscopy 
Robert J. Stanley and Haishan Jang 

8985-8993
Theoretical Interpretation of the Photoelectron Spectra of 
Al3O2- and
Al3O3-  T
apan K. Ghanty and Ernest R. Davidson 

8994-9002
Spectral Characterization, Photophysics, and Photochemistry of the 
Four Stereoisomers of 1-(2-anthryl)-4-phenyl-1,3-butadiene 
A. Spalletti, G. Bartocci, G. Galiazzo, A. Macchioni, and U. Mazzucato 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


9003-9012
Formation of OH Radicals in the Gas-Phase Reaction of Propene, Isobutene, 
and Isoprene with O3:  Yields and Mechanistic Implications 
Peter Neeb and Geert K. Moortgat 

9013-9021
Photolysis of Matrix-Isolated Allenylketene:  An Experimental a
nd Theoretical Study of the Allenylcarbene Reactivity 
Jean-Pierre Aycard, Alain Allouche, Michèle Cossu, and Mihaela Hillebrand 

9022-9028
Temperature-Dependent Ways of Proton Transfer-A Benchmark Study on C
yclic HF Oligomers 
Thomas Loerting and Klaus R. Liedl 

9029-9035
Kinetics of Metallocarbohedrenes:  An FT-ICR Mass Spectrometry Study of t
he Association Reactions of Ti8C12+ with
Polar and Nonpolar Molecules  Ken J. Auberry, Yong Gwan Byun, 
Denley B. Jacobson, and Ben S. Freiser 

9036-9041
Experimental and Theoretical Studies of the C<
SUB>6H5 + C6H6 Reaction 
J. Park, S. Burova, A. S. Rodgers, and M. C. Lin 

9042-9048
Phase Transitions in Aqueous NH4HSO4 Solutions 
Thomas Koop, Allan K. Bertram, Luisa T. Molina, and Mario J. Molina 

9049-9054
Ab Initio and Kinetic Calculations for the Reactions of 
NH(X3-) with
CHxF4-x and
CDxF4-x (x =
1, 2, 3, 4)  
Baoshan Wang,  Hua Hou, and  Yueshu Gu  


Time-Resolved Raman Study of the Oxidation Mechanism of A
romatic Diamines by OH Radical in Water  
G. N. R. Tripathi and Q. Sun 

9061-9071
Barrierless Isomerization Dynamics in Viscous Liquids: Decoupling 
of the Reaction Rate from the Slow Frictional Forces 
R. Aldrin Denny, Biman Bagchi 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


9072-9079
Electron Affinity, Gas-Phase Acidity, Bond Dissociation Energy, a
nd Negative Ion States of Nitromethane 
Edward C. M. Chen and Natalie Welk, Edward S. Chen, W. E. Wentworth  

9080-9085
Structure, Conformational Equilibrium, and Proton Affinity of 
Calix[4]arene by Density Functional Theory 
R. J. Bernardino and B. J. Costa Cabral 

9086-9092
A Computational Study on the Mechanism and Kinetics of the Pyrolysis o
f 2-Nitrophenyl Azide 
Guntram Rauhut and Frank Eckert 

9093-9099
Spectroscopic Properties of Al2P2, 
Al2P2+, and
Al2P2- and Comparison with Their Ga and In
Analogues  Ping Yi Feng and  K. Balasubramanian 

9100-9108
Second-Order Mller-Plesset Analytical Derivatives for the Polarizable 
Continuum Model Using the Relaxed Density Approach 
Roberto Cammi, Benedetta Mennucci and Jacopo Tomasi 

9109-9115
Structures and Stabilities for Halides and Oxides of Transactinide 
Elements Rf, Db, and Sg Calculated by Relativistic Effective Core Potential
Methods  Young-Kyu Han, Sang-Kil Son, Yoon Jeong Choi, and Yoon Sup Lee 

9116-9124
A Theoretical Investigation of Benzene-AlX3 and 
Ethene-AlX3 (X = H, F, Cl) Interactions 
P. Tarakeshwar and Kwang S. Kim 

9125-9131
Theoretical Study of the Reaction of S+ with C3H2 
Pilar Redondo, Elena Calleja, Carmen Barrientos, and Antonio Largo 

9132-9137
MC/MO Study of the Electronic Structure and Hyperfine Coupling 
Constant of the Nitrogen of the (CH3)2NO Radical in
Hydrogen-Bonding and Non-Hydrogen-Bonding Solvents  
Toru Yagi and Osamu Kikuchi 

9138-9143
Structure and Nature of the Interaction of the 
CH3N2+ Ion Shellvated by H2
Molecules: 
CH3N2+(H2)n=1-9  
Robert W. Gora,  Szczepan Roszak, and Jerzy Leszczynski 

9144-9149
Characterization of Mo(CO)6 by 95Mo Single-Crystal 
NMR Spectroscopy 
Thomas Vosegaard, Jrgen Skibsted, and Hans J. Jakobsen 

9150-9153
Quantum Studies of Acetylene Adsorption on Ice Surface 
A. Allouche 


GENERAL PHYSICAL CHEMISTRY


9154-9162
Photochemistry of HNCO in Solid Xe:  Channels of UV Photolysis a
nd Creation of H2NCO Radicals 
Mika Pettersson, Leonid Khriachtchev, Santtu Jolkkonen, and Markku Räsänen