Journal of Physical Chemistry, 2000, V 104, N 5, 10 February.

LETTERS

873-877   
The Role of Dark States in the Photodynamics of the Green
Fluorescent Protein Examined with Two-Color Fluorescence
Excitation Spectroscopy 
G. Jung, S. Mais, A. Zumbusch, and C. Bräuchle 

878-882   
Photoelectron Spectroscopy and Circular Dichroism in Chiral
Biomolecules: L-Alanine 
Ivan Powis 

ARTICLES

DYNAMICS AND RELAXATION
883-893  
Luminescence and Energy Transfer of [Ru(bpy)3]2+, [Cr(ox)3]3-,
and [Os(bpy)3]2+ in Three-Dimensional Oxalato-Networks 
Marianne E. von Arx, Emanuele Burattini, and Andreas Hauser , 
Liesbeth  van Pieterson , René Pellaux and Silvio Decurtins

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

894-898   
Determination of the Ground and Excited State Dipole Moments of
Free Base Chlorin and Isobacteriochlorin Amarnauth Singh,
Wen-Ying Huang, and Lawrence W. Johnson 

899-907   
Solvent and Intramolecular Effects on the Absorption Spectrum
of Betaine-30 
John Lobaugh and Peter J. Rossky 

908-914   
Alkali Metal NMR Chemical Shielding as a Probe of Local
Structure: An Experimental and Theoretical Study of Rb+ in
Halide Lattices 
Angel C. de Dios, Ann Walling, Ian Cameron, Christopher I. Ratcliffe, 
and John A. Ripmeester

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

915-921   
Carbon-Oxygen Bond Dissociation Enthalpies in Peroxyl Radicals
Marieke Kranenburg, Maria Victoria Ciriano, Artem Cherkasov,
and Peter Mulder 

922-927  
Theoretical Analysis of Concerted and Stepwise Mechanisms of
Diels-Alder Reaction between Butadiene and Ethylene 
Shogo Sakai

928-934   
Selected Ion Flow Tube Studies of Air Plasma Cations Reacting
with Alkylbenzenes 
Susan T. Arnold, Itzhak Dotan, Skip  Williams, A. A. Viggiano, 
and Robert A. Morris 

935-946   
Mechanism of the Reaction of CH3SO with NO2 in Relation to
Atmospheric Oxidation of Dimethyl Sulfide: Experimental and
Theoretical Study 
Alexander Kukui, Valérie Bossoutrot, Gérard Laverdet, 
and Georges Le Bras 

 MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

947-953  
Direct Space Representation of the Metallic Bond 
Bernard Silvi, Carlo Gatti 

954-961  
Vibrational Spectroscopy and ab Initio Calculations on
[N(C2F5SO2)2]- and the Corresponding Superacid HN(C2F5SO2)2
Patrik Johansson, Jörgen Tegenfeldt, and Jan Lindgren

962-967   
Interactions of Molecular Hydrogen with Alkali Metal Halides in
Argon Matrices: A Computational Model 
Michael L. McKee,1 and Ray L. Sweany,2 

968-973   
The Acetylene-Ammonia Dimer as a Prototypical C-H···N
Hydrogen-Bonded System: An Assessment of Theoretical Procedures
Michael Hartmann and Leo Radom 

974-981   
Geometry, Vibrational Frequencies, and Ionization Energies of
BeX2 (X = F, Cl, Br, and I) 
Edmond P. F. Lee and Timothy G.  Wright 

982-989   
C6F6 and sym-C6F3H3: Ab Initio and DFT Studies of Structure,
Vibrations, and Inelastic Neutron Scattering Spectra 
Dale A. Braden and Bruce S. Hudson 

990-994  
A Theoretical Study of the Cluster Vibrations in Cr2O2, Cr2O3,
and Cr2O4 
Kai-hua Xiang and Ravindra Pandey , J. M. Recio and
E. Francisco , John M. Newsam 

995-1003  
Theoretical Study of the Double Proton Transfer in the
CHX-XH···CHX-XH (X = O, S) Complexes 
Pablo Jaque and Alejandro Toro-Labbé 

1004-1008 
Density Functional Study on Phenol Derivative-Ammonia Complexes
in the Gas Phase 
Agnieszka J. Abkowicz-Bieñko and  Zdzisaw Latajka 

1009-1019 
Three-Dimensional Photodissociation Dynamics of Rotational
State Selected Methyl Iodide Daiqian 
Xie and Hua Guo , Yoshiaki Amatatsu , Ronnie Kosloff 

1020-1029 
Effects of Alkyl Substituents on the Excited States of
Naphthalene: Semiempirical Study Nelaine 
Mora-Diez and Russell  J. Boyd , George L. Heard 

1030-1038 
Ab Initio Investigation of XCH2CH2 and XCHCH3 Radicals (X = F,
Cl, Br) 
Xuming Zheng and David Lee Phillips 

1039-1046 
Hartree-Fock and Density Functional Theory ab Initio
Calculation of Optical Rotation Using GIAOs: Basis Set
Dependence 
James R. Cheeseman and Michael J. Frisch , Frank J.
Devlin and Philip J. Stephens 

1047-1054 
Experimental Charge Density of [Image]-Glycine at 23 K 
Riccardo Destro, Pietro Roversi, Mario Barzaghi, and 
Richard E. Marsh
  
1055-1063 
Orientation of Asymmetric Top Molecules in a Uniform Electric
Field: Calculations for Species without Symmetry Axes 
Wei Kong , Jaap Bulthuis 

 GENERAL PHYSICAL CHEMISTRY

1064-1074 
Estimating Heats of Formation of Hydrocarbon Radicals by a
Combination of Semiempirical Calculation and Family Correlation
with Experimental Values 
Xiaoliang Ma and Harold H. Schobert

COMMENTS

1075-1077 
Comment on "Fluorescence of Antiaromatic Systems: An
Experimental and Theoretical Study of
1,3,5-Tri-tert-butylpentalene" 
Michael J. Bearpark and Michael A. Robb 

1078-1078 
Reply to Comment on "Fluorescence of Antiaromatic Systems: An
Experimental and Theoretical Study of
1,3,5-Tri-tert-butyl-pentalene" 
Anna Falchi, Cristina Gellini, and Pier Remigio Salvi , 
Klaus Hafner