Journal of Physical Chemistry A, 2003, V 107, N 45, November 13.

LETTERS 

 IR Photodissociation Spectroscopy of Na+[H2O]m[C6F6]n Clusters: 
 Evidence for Separation of Aqueous and Nonaqueous Phases
 G. Naresh Patwari and James M. Lisy
 pp 9495 - 9498;  

ARTICLES

DYNAMICS AND RELAXATION 
 
Ultrafast Decarboxylation of Carbonyloxy Radicals:
Influence of Molecular Structure
Bernd Abel, Jens Assmann, Michael Buback, Christian Grimm, 
Matthias Kling, Stefan Schmatz, Jorg Schroeder, 
and Thomas Witte
pp 9499 - 9510; 
 
Quantitative Calculation of Product Rovibrational 
Distributions from Atom-Diatom Exchange Reactions
Richard J. Marsh, Anthony J. McCaffery, and Mark A. Osborne
pp 9511 - 9521; 
 
Picosecond Time-Resolved Fluorescence Studies Are Consistent 
with Reversible Excited-State Intramolecular Proton Transfer 
in 4'-(Dialkylamino)-3-hydroxyflavones
Vasyl V. Shynkar, Yves Mely, Guy Duportail, Etienne Piemont, 
Andrey S. Klymchenko, and Alexander P. Demchenko
pp 9522 - 9529;  
 
Phenothiazine-Pyrene Dyads: Photoinduced Charge Separation 
and Structural Relaxation in the CT State
Nursel Acar, Jana Kurzawa, Norbert Fritz, Andre Stockmann, 
Ciprian Roman, Siegfried Schneider, and Timothy Clark
pp 9530 - 9541;  

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Structure of Charge-Transfer Complexes Formed by Biscrown 
Stilbene and Dipyridylethylene Derivatives As Probed 
by Surface-Enhanced Raman Scattering Spectroscopy
Iouri S. Alaverdian, Alexei V. Feofanov, Sergey P. Gromov, 
Artem I. Vedernikov, Natal'ya A. Lobova, and Michael V. Alfimov
pp 9542 - 9546;  
 
SCnS Linear Chain Production by Direct Laser Ablation
Andrei Burnin and Joseph J. BelBruno
pp 9547 - 9553; 
  
The Fluorescence of N-Phenylpyrrole in an 
Argon/Acetonitrile Matrix
Danielle Schweke and Yehuda Haas
pp 9554 - 9560; 
 
Hole Transfer and Differential Radical Recombination 
in X-Irradiated Doped Crystalline DNA Model Systems
Andre Krivokapi and Einar Sagstuen
pp 9561 - 9566;  
 
Collision-Induced IR Emission Spectra of 
Impact-Heated Rare-Gas Clusters
A. Gross and R. D. Levine
pp 9567 - 9574; 
 
 Gas-Phase Solvation Behavior of Ni(II) in 
Water/N,N-Dimethylformamide Mixtures
Nikos G. Tsierkezos, Detlef Schroder, and Helmut Schwarz
pp 9575 - 9581; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Aerosol Uptake Described by Numerical Solution of the 
Diffusion-Reaction Equations in the Particle
Geoffrey D. Smith, Ephraim Woods, III, Tomas Baer, 
and Roger E. Miller
pp 9582 - 9587; 
 
Reactions of Silylene with Unreactive Molecules. 
2. Nitrogen: Gas-Phase Kinetic and Theoretical Studies
Rosa Becerra, J. Pat Cannady, and Robin Walsh
pp 9588 - 9593; 
 
Quantum Yields of Hydroxyl Radical and Nitrogen 
Dioxide from the Photolysis of Nitrate on Ice
Liang Chu and Cort Anastasio
pp 9594 - 9602;  
 
Pressure and Temperature Effects on Product Channels of 
the Propargyl (HCCCH2) Combination Reaction 
and the Formation of the "First Ring"
Pui-Teng Howe and Askar Fahr
pp 9603 - 9610; 
 
Study of the Interaction of Pollutant Nitro Polycyclic 
Aromatic Hydrocarbons with Different Metallic Surfaces 
by Surface-Enhanced Vibrational Spectroscopy (SERS and SEIR)
E. A. Carrasco F., M. Campos-Vallette, P. Leyton, 
G. Diaz F., R. E. Clavijo, J. V. Garcia-Ramos, 
N. Inostroza, C. Domingo, S. Sanchez-Cortes, and R. Koch
pp 9611 - 9619; 
 
Kinetics of Chromate Adsorption and Desorption at Fused 
Quartz/Water Interfaces Studied by Second Harmonic Generation
Amanda L. Mifflin, Katie A. Gerth, and Franz M. Geiger
pp 9620 - 9627; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Ab Initio Calculation of the Polarizability for the Ground 
State X1+ and the First Low-Lying Excited States a3+ and 
A1+ of LiH and NaH
Mohammadou Merawa, Didier Begue, and Alain Dargelos
pp 9628 - 9633; 
 
Twofold Hydrogen Bridges as Observed in Amide-Templated Rotaxanes
Werner Reckien and Sigrid D. Peyerimhoff
pp 9634 - 9640; 
 
Coupled Cluster Theory and Multireference Configuration 
Interaction Study of FO, F2O, FO2, and FOOF
David Feller and David A. Dixon
pp 9641 - 9651; 
 
ESR Investigation of Radical Addition Reactions to 
2-[(2,4,6-Tri-tert-Butyl)Phenyl]-1-Phosphaalkyne
Didier Gigmes, Yves Berchadsky, Jean-Pierre Finet, 
Didier Siri, and Paul Tordo
pp 9652 - 9657; 
 
A Quantum Chemical Study of Bonding Interaction, 
Vibrational Frequencies, Force Constants, and 
Vibrational Coupling of Pyridine-Mn 
(M = Cu, Ag, Au; n = 2-4)
D. Y. Wu, M. Hayashi, Y. J. Shiu, K. K. Liang, 
C. H. Chang, Y. L. Yeh, and S. H. Lin
pp 9658 - 9667; 
 
Plateau Reactions: Double Proton-Transfer 
Processes with Structureless Transition States
Stefan Schweiger and Guntram Rauhut
pp 9668 - 9678; 
 
Ground and Excited States of [M(H2timdt)2] Neutral 
Dithiolenes (M = Ni, Pd, Pt; H2timdt = Monoanion 
of Imidazolidine-2,4,5-trithione): Description 
within TDDFT and Scalar Relativistic (ZORA) Approaches
Pina Romaniello, M. C. Aragoni, M. Arca, 
T. Cassano, C. Denotti, F. A. Devillanova, 
F. Isaia, Francesco Lelj, V. Lippolis, and R. Tommasi
pp 9679 - 9687;
 
Theories of Reversible Dissociation: A Comparative Study
A. V. Popov and A. I. Burshtein
pp 9688 - 9694; 
 
Three-Dimensional Correlation Analysis-A Novel Approach 
to the Quantification of Substituent Effects
Artem Cherkasov, Dennis G. Sprous, and Ridong Chen
pp 9695 - 9704;
 
Ab Initio Studies of Np and Pu Complexes and Reactions 
in the Gas Phase: Structures and Thermodynamics
Bernd Schimmelpfennig, Timofei Privalov, 
Ulf Wahlgren, and Ingmar Grenthe
pp 9705 - 9711; 
 
The Trapping of the OH Radical by Coenzyme 
Q. A Theoretical and Experimental Study
J. Espinosa-Garcia and C. Gutierrez-Merino
pp 9712 - 9723; 
 
Blue-Shifted Hydrogen-Bonded Complexes CF3H-(HF)1n3
Alfred Karpfen and Eugene S. Kryachko
pp 9724 - 9729; 
 
An ab Initio Investigation of the Ground and First 
Two Excited Electronic States of the 
Difluoromethyl Radical
Peter S. Fudacz, Janell D. Dober, Dennis L. Jarman, 
Jean M. Standard, and Robert W. Quandt
pp 9730 - 9735; 

ADDITIONS AND CORRECTIONS 
 

Ultrafast Solvation Dynamics: A View from the Solvent's 
Prospective Using a Novel Resonant-Pump,
Nonresonant-Probe Technique
David F. Underwood and David A. Blank:
pp 9736 - 9736; 
 
The Nucleation and Freezing of Dilute Nitric Acid Aerosols.
D. B. Dickens and J. J. Sloan:
pp 9736 - 9736;