The Journal of Physical Chemistry A, 2001, V 105, N 19, 17 May.

LETTERS

 4585-4588 Ring Opening of Dioxiranylmethyl Radical: A Caution on the Use
of G2-Type ab Initio MO Methods for Mechanistic Analysis 
Barry K. Carpenter 

FEATURE ARTICLE

 4589-4599 
Enantioselective Quenching of Luminescence: Molecular
Recognition of Chiral Lanthanide Complexes by Biomolecules in
Solution Stefan C. J. Meskers and Harry P. J. M. Dekkers

ARTICLES

DYNAMICS AND RELAXATION

 4600-4610 
Exciton-Like and Charge-Transfer States in Cyanine-Oxonol Ion
Pairs. An Experimental and Theoretical Study I. Baraldi, F.
Momicchioli, G. Ponterini, A. S. Tatikolov, and D. Vanossi

4611-4621 
Dual Fluorescence and Intramolecular Charge Transfer with
N-Phenylphenanthridinones Attila Demeter and Tibor Bérces ,
Klaas A. Zachariasse 

 4622-4626 
Vibrational Relaxation and Hydrogen-Bond Dynamics of HDO:H2O
Michel F. Kropman, Han-Kwang Nienhuys, Sander Woutersen, and Huib J. Bakker

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

 4627-4632 
Characterization of Six Isomers of [84]Fullerene C84 by
Electrochemistry, Electron Spin Resonance Spectroscopy, and
Molecular Energy Levels Calculations José Antonio
Azamar-Barrios, T. John S. Dennis, Shaumo Sadhukan, Hisanori
Shinohara, Gustavo E. Scuseria, and Alain Pénicaud

4633-4639 
Solution Phase Cationic Niobium and Tantalum Alkoxide Clusters:
Insights into Formation and Structure 
A. Zemski and A. W. Castleman, Jr.* , D. L. Thorn 

 4640-4647 
Temperature and Salt Addition Effect on the Micellized Radical
Pairs Recombination Studied by Stimulated Nuclear Polarization
N. V. Lebedeva, E. G. Bagryanskaya, V. R. Gorelik, I. V. Koptyug,
and R. Z. Sagdeev 

 4648-4652 
Time-Resolved Study of the Triplet State of 4-dimethylaminobenzonitrile (DMABN) 
C. Ma, W. M. Kwok, P. Matousek, A. W. Parker, D. Phillips, W. T. Toner,
and M. Towrie

4653-4659 
Studies of Linear CnSe- (1 [Image] n [Image] 11) Clusters
Produced from Laser Ablation: Collision-Induced Dissociation
and ab Initio Calculations Hai-Yan Wang, Rong-Bin Huang, Hong
Chen, Meng-Hai Lin, and Lan-Sun Zheng 

 4660-4663 
Influence of Hot Bands on Vibrational Spectra of Shock
Compressed Materials D. S. Moore 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

 4664-4668 
Diamond-Anvil Cell Observations of a New Methane Hydrate Phase
in the 100-MPa Pressure Range I-Ming Chou, Anurag Sharma,
Robert C. Burruss, Russell J. Hemley, Alexander F. Goncharov,
Laura A. Stern, and Stephen H. Kirby 

 4669-4675 
Photoionization of Phenolates and Scavenging of Hydrated
Electrons by No3-: A Study of the Reaction Mechanism by FT-EPR
Alejandro Bussandri and Hans van Willigen* 

 4676-4681 
Equilibrium Isotope Effect for the
W(CO)3(PCy3)2(H)2/W(Co)3(PCy3)2([Image]2-H2) Tautomeric
Equilibrium: A Nuclear Dynamics Variable Representation Study
Laia Torres, Miquel Moreno, and José M. Lluch 

 4682-4690 
Gas Phase Reaction Kinetics of O Atoms with (CH3)2NNH2,
CH3NHNH2, and N2H4, and Branching Ratios of the OH Product
Ghanshyam L. Vaghjiani 

 4691-4696 
Relaxation Pathways of Photoexcited Diaminostilbenes. The
meta-Amino Effect Frederick D. Lewis, Wilfried Weigel, and
Xiaobing Zuo 

 4697-4701 
Gas-Phase Reaction of Trimethylgallium and Ammonia:
Experimental Determination of the Equilibrium Constant and ab
Initio Calculations Aleksey Pelekh and Robert W. Carr

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

 4702-4707 
Analytical Model for Molecular-Scale Charge Transport Ian R.
Peterson, Dominique Vuillaume, and Robert M. Metzger

4708-4715 
Gauge-Including Atomic Orbital Proton Chemical Shifts of Strong
Hydrogen Bonds: The Importance of Electron Correlation Dewey H.
Barich, John B. Nicholas, and James F. Haw 

 4716-4725 
A Theoretical Study of the S + C2H Reaction: Potential Energy
Surfaces and Dynamics 
J. R. Flores, C. M. Estévez, L. Carballeira, and I. Pérez Juste 

 4726-4736 
Transition Structures for D-Ribulose-1,5-bisphosphate
Carboxylase/Oxygenase-Catalyzed Oxygenation Chemistry: Role of
Carbamylated Lysine in a Model Magnesium Coordination Sphere
Mónica Oliva, Vicent S. Safont, and Juan Andrés , O. Tapia

4737-4740 
C-H Bond-Shortening upon Hydrogen Bond Formation: Influence of
an Electric Field Artëm Masunov and J. J. Dannenberg , Rubén H.
Contreras 

 4741-4748 
Hydrogen Bonding in Chloroform Solutions of Ethylenedioxy
Ethers. Spectroscopic Evidence of Bifurcated Hydrogen Bonds
Nikolay Goutev and Hiroatsu Matsuura 

 4749-4757 
Theoretical Study of the Photophysics of Adenine in Solution:
Tautomerism, Deactivation Mechanisms, and Comparison with the
2-Aminopurine Fluorescent Isomer Benedetta Mennucci, Alessandro
Toniolo, and Jacopo Tomasi 



 4758-4764 
Matrix Isolation Study of the Thermal and Photochemical
Reaction of OVCl3 with NH3: Spectroscopic and Theoretical
Characterization of Cl2V(O)NH2 Bruce S. Ault 

 4765-4772 
Ethylene Epoxidation with Tungsten Diperoxo Complexes: Is
Relativity the Origin of Reactivity? Dirk V. Deubel

4773-4780 
Combined FTIR Matrix Isolation and Ab Initio Studies of Pyruvic
Acid: Proof for Existence of the Second Conformer Igor D. Reva,
Stepan G. Stepanian, Ludwik Adamowicz, and Rui Fausto

4781-4789 
Structural Characterization of 1:1 van der Waals Complexes of
9-Cyanoanthracene with Aprotic Solvents by Rotational Coherence
Spectroscopy Kazuhiro Egashira, Yasuhiro Ohshima, and Okitsugu
Kajimoto 

GENERAL PHYSICAL CHEMISTRY

 4790-4798 
Intramolecular Charge Transfer and Photochemical Isomerization
in Donor/Acceptor-Substituted Butadienes Riju Davis and Suresh
Das , Mathew George, Sergey Druzhinin, and Klaas A. Zachariasse