The Journal of Physical Chemistry , 2000, V 104, N 19, 18 May.

LETTERS

 4339-4342 
A Determination of the Bond Dissociation Energy (D0(H-SH)):
Threshold Ion-Pair Production Spectroscopy (TIPPS) of a
Triatomic Molecule R. C. Shiell, X. K. Hu, Q. J. Hu, and J. W.
Hepburn 


FEATURE ARTICLE

 4343-4351 
Geothermal Vents and Chemical Processing: The Infrared
Spectroscopy of Hydrothermal Reactions Thomas B. Brill

ARTICLES

DYNAMICS AND RELAXATION

 4352-4355 
The OH Product State Distribution from the Photodissociation of
Hexafluoroacetylacetone Min-Chul Yoon, Young S. Choi, and Sang
Kyu Kim 

 4356-4363 
Studies of Double-Layer Effects at Single-Crystal Gold
Electrodes. 1. The Reduction Kinetics of Hexaamminecobalt(III)
Ion in Aqueous Solutions Magdaléna Hromadová and W. Ronald
Fawcett 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 4364-4373 
Structural and Vibrational Assignment of
p-Methoxyphenethylamine Conformers Ińigo Unamuno, Jose A.
Fernández, Asier Longarte, and Fernando Castańo 

 4374-4382 
Electronic Spectra of the Cyclometalated Complexes
M(2-thienylpyridine)2 with M = Pd, Pt: A Theoretical Study
Kristine Pierloot and Arnout Ceulemans , Manuela Merchán and
Luis Serrano-Andrés 

 4383-4393 
Raman and Infrared Spectra, Conformational Stability, Normal
Coordinate Analysis, Vibrational Assignment, and ab Initio
Calculations of 3,3-Difluorobutene Gamil A. Guirgis, Xiaodong
Zhu, Zhenhong Yu, and James R. Durig 

 4394-4401 
Reactions of Co, Ni, and Cu Atoms with CS2: Infrared Spectra
and Density-Functional Calculations of SMCS, M-([Image]2-CS)S,
M-CS2, and MCS2+ in Solid Argon Mingfei Zhou and Lester Andrews

4402-4412 
Electron Spin-Lattice Relaxation Measurement of the 3Fe-4S
(S-3) Cluster in Succinate:Ubiquinone Reductase from Paracoccus
Denitrificans. A Detailed Analysis Based on a Dipole-Dipole
Interaction Model Shao-Ching Hung, Christopher V. Grant,
Jeffrey M. Peloquin, A. Reginald Waldeck, R. David Britt, and
Sunney I. Chan 

 4413-4420 
H and 15N Dynamic Nuclear Polarization Studies of Carbazole
Jian Z. Hu, Mark S. Solum, Robert A. Wind, Brad L. Nilsson,
Matt A. Peterson, Ronald J. Pugmire, and David M. Grant

4421-4428 
Microwave Spectrum, Conformational Equilibrium, Intramolecular
Hydrogen Bonding, Tunneling, and Quantum Chemical Calculations
for 1-Ethenylcyclopropan-1-ol Andrei Leonov, Karl-Magnus
Marstokk, Armin de Meijere, and Harald M[Image]llendal

4429-4432 
Experimental Observation of a Very High Second Electron
Affinity for ZrF6 from Photodetachment of Gaseous ZrF62- Doubly
Charged Anions Xue-Bin Wang and Lai-Sheng Wang 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 4433-4440 
Effect of Water Density on Hydrogen Peroxide Dissociation in
Supercritical Water. 1. Reaction Equilibrium Naoko Akiya and
Phillip E. Savage 

 4441-4448 
Effect of Water Density on Hydrogen Peroxide Dissociation in
Supercritical Water. 2. Reaction Kinetics Naoko Akiya and
Phillip E. Savage 

 4449-4457 
Product Identification and Kinetics of Reactions of HCl with
HNO3/H2SO4/H2O Solutions Christopher D. Cappa, Sarah E.
Kuipers, Jeanine M. Roberts, Abigail S. Gilbert, and Matthew J.
Elrod 

 4458-4468 
Multiple Excited States in a Two-State Crossing Model:
Predicting Barrier Height Evolution for H + Alkene Addition
Reactions James S. Clarke, Heather A. Rypkema, Jesse H. Kroll,
Neil M. Donahue, and James G. Anderson 

 4469-4474 
Solvent-Solute Interactions Probed by Picosecond Time-Resolved
Fluorescence Spectroscopy: Lifetime and Anisotropy Study of S1
trans-4,4'-Diphenylstilbene Xin Tan and Terry L. Gustafson

4475-4479 
Ferrous Ions as Catalysts for Photochemical Reduction of CO2 in
Homogeneous Solutions J. Grodkowski and P. Neta 

 4480-4488 
Radiative Association Reactions of Na+, Mg+, and Al+ with
Abundant Interstellar Molecules. Variational Transition State
Theory Calculations Simon Petrie , Robert C. Dunbar

4489-4496 
Isomerization of Propylene Oxide. Quantum Chemical Calculations
and Kinetic Modeling Faina Dubnikova and Assa Lifshitz

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 4497-4504 
Application of the Group Additivity Method to Alkyl Radicals:
An ab Initio Study István Marsi, Béla Viskolcz, and László Seres 

 4505-4513 
Sequential Mechanism of Methane Dehydrogenation over Metal (Mo
or W) Oxide and Carbide Catalysts Taijin Zhou, Aimin Liu,
Yirong Mo, and Hongbin Zhang 

 4514-4520 
Reactions between Li Atoms and HX (X = F, Cl) Molecules:
Semiempirical SCF MO and Matrix Isolation ESR Studies Paul H.
Kasai 

 4521-4532 
Characterization of Aromatic-Amide(Side-Chain) Interactions in
Proteins through Systematic ab Initio Calculations and Data
Mining Analyses Guilin Duan, Vedene H. Smith, Jr., and Donald
F. Weaver 

 4533-4548 
Free Energetics of NaI Contact and Solvent-Separated Ion Pairs
in Water Clusters Gilles H. Peslherbe, Branka M. Ladanyi, and
James T. Hynes 

 4549-4552  
Photoinduced Hydrogen Atom Transfer of Free-Base Porphin Kiet
A. Nguyen and Ruth Pachter 

 4553-4561 
Electronic Excitation Spectrum of s-Tetrazine: An
Extended-STEOM-CCSD Study Marcel Nooijen 

 4562-4570 
Interaction Potentials and Vibrational Effects in the Acetylene
Dimer Kimberly Shuler and Clifford E. Dykstra 

 4571-4580 
Ab Initio Molecular Orbital Calculations on NO+ˇ(H2O)n Cluster
Ions. Part I: Minimum-Energy Structures and Possible Routes to
Nitrous Acid Formation Essam Hammam, E. P. F. Lee, and J. M.
Dyke 

 4581-4585 
Heats of Formation for CnFm, CnFm+, CHFm, and CHFm+ Charles W.
Bauschlicher, Jr. and Alessandra Ricca 

 4586-4591 
Theoretical Analysis of 31P NMR Chemical Shifts in Vanadium
Phosphorus Oxides V. Robert, S. Petit, S. A. Borshch, and B.
Bigot 

 4592-4597 
Interaction Energies of Hydrogen-Bonded Formamide Dimer,
Formamidine Dimer, and Selected DNA Base Pairs Obtained with
Large Basis Sets of Atomic Orbitals Ji[Image]í [Image]poner and
Pavel Hobza 

 4598-4605 
Phosphorus Chemical Shift Tensors for Tetramethyldiphosphine
Disulfide: A 31P Single-Crystal NMR, Dipolar-Chemical Shift
NMR, and Ab Initio Molecular Orbital Study Myrlene Gee,
Roderick E. Wasylishen, and Klaus Eichele , James F. Britten

4606-4608 
Conformational Flexibility of
meso-Tetrakis(perfluoroalkyl)porphyrins: Energetics of Ruffling
versus Saddling Tebikie Wondimagegn and Abhik Ghosh

4609-4617 
Effects of the Complexation by the Mg2+ Cation on the
Stereochemistry of the Sugar-Diphosphate Linkage. Ab Initio
Modeling on Nucleotide-Sugars Isabelle André, Igor Tvaroska,
and Jeremy P. Carver 

 4618-4628 
Diatomic Halogen Anions and Related Three-Electron-Bonded Anion
Radicals: Very Contrasted Performances of M[Image]ller-Plesset
Methods in Symmetric vs Dissymmetric Cases Benoît Braďda and
Philippe C. Hiberty 

 4629-4635 
Dissociation of Ozonide in Water John Bentley, Jesse Y.
Collins, and Daniel M. Chipman 

 4636-4647 
Thermokinetic Proton Transfer and Ab Initio Studies of the
[2H,S,O]+ System. The Proton Affinity of HSO Brian K. Decker,
Nigel G. Adams, Lucia M. Babcock, T. Daniel Crawford, and Henry
F. Schaefer, III 

GENERAL PHYSICAL CHEMISTRY

 4648-4657 
Evidence for Two Separate One-Electron Transfer Events in
Excited Fulleropyrrolidine Dyads Containing Tetrathiafulvalene
(TTF) Nazario Martín, Luis Sánchez, and Ma Angeles Herranz ,
Dirk M. Guldi 

 4658-4669 
Photochemistry of "Super" Photoacids. 2. Excited-State Proton
Transfer in Methanol/Water Mixtures Kyril M. Solntsev, Dan
Huppert, Noam Agmon, and Laren M. Tolbert 

ADDITIONS AND CORRECTIONS

 4670-4670 
An ab Initio Study of the Kinetics of the Reactions of
Halomethanes with the Hydroxyl Radical. 1: CH2Br2 Florent
Louis, Carlos A. Gonzalez, Robert E. Huie, and Michael J.
Kurylo: 

 4670-4670 
Dissociation of Ozonide in Water John Bentley, Jesse Y.
Collins, and Daniel M. Chipman: