The Journal of Physical Chemistry A: Volume 103, Issue 33 (ACS Publications)

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FEATURE ARTICLE

Photoexcitation, Ionization, and Dissociation of Molecules Using Intense Near-Infrared Radiation of Femtosecond Duration

Robert J. Levis and Merrick J. DeWitt

pp 6493–6507

Publication Date (Web): July 30, 1999 (Feature Article)

DOI: 10.1021/jp984543v

Abstract

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ARTICLES
DYNAMICS AND RELAXATION

Diffusion and Structure in Water−Alcohol Mixtures: Water + tert-Butyl Alcohol (2-Methyl-2-Propanol)

Kenneth R. Harris and Paula J. Newitt

pp 6508–6513

Publication Date (Web): August 04, 1999 (Article)

DOI: 10.1021/jp990659v

Abstract | Supporting Info

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Reduction of NO with CH₄ Effected by Copper Oxide Clusters in the Channels of ZSM-5

Y.-J. Huang and H. Paul Wang

pp 6514–6516

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp9906177

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Electronic Energy Transfer in Multichromophoric Arrays. A Sequential and Superexchange Dynamics Study

Edwin K. L. Yeow, David J. Haines, and Kenneth P. GhigginoMichael N. Paddon-Row

pp 6517–6524

Publication Date (Web): August 04, 1999 (Article)

DOI: 10.1021/jp991113b

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SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Reactions of Laser-Ablated Y and La Atoms, Cations and Electrons with O₂. Infrared Spectra and Density Functional Calculations of the MO, MO⁺, MO₂, MO₂⁺, and MO₂^- Species in Solid Argon

Lester Andrews, Mingfei Zhou, and George V. ChertihinCharles W. Bauschlicher, Jr.

pp 6525–6532

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp991024z

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Magnetic Circular Dichroism of C₆₀⁺ and C₆₀^- Radicals in Argon Matrixes

Vaughan S. Langford and Bryce E. Williamson

pp 6533–6539

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp991393v

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KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Production of HCl in the OH + ClO Reaction: Laboratory Measurements and Statistical Rate Theory Calculations

Jennifer B. Lipson, Thomas W. Beiderhase, Luisa T. Molina, and Mario J. MolinaMatthias Olzmann

pp 6540–6551

Publication Date (Web): August 04, 1999 (Article)

DOI: 10.1021/jp9847787

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Dissociative Recombination of H₃O⁺

Anthony E. Ketvirtis and Jack Simons

pp 6552–6563

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp991143e

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Transition Scenarios during the Evolution of the Belousov−Zhabotinsky Reaction in an Unstirred Batch Reactor

Mauro Rustici, Carlo Caravati, Enrico Petretto, Mario Branca, and Nadia Marchettini

pp 6564–6570

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp9902708

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Transients of the Oxidation of Pyrimidines with SO₄^•-: Structure and Reactivity of the Resulting Radicals

R. Lomoth, S. Naumov, and O. Brede

pp 6571–6579

Publication Date (Web): August 19, 1999 (Article)

DOI: 10.1021/jp990777i

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Measurements of Primary Radical Concentrations Generated by Pulsed Laser Photolysis Using Fluorescence Detection

Graeme Moad, Devon A. Shipp, Trevor A. Smith, and David H. Solomon

pp 6580–6586

Publication Date (Web): August 19, 1999 (Article)

DOI: 10.1021/jp990892t

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Peroxynitrous Acid Decomposes via Homolysis: Evidence from High-Pressure Pulse Radiolysis

Sara Goldstein, Dan Meyerstein, Rudi van Eldik, and Gidon Czapski

pp 6587–6590

Publication Date (Web): July 30, 1999 (Article)

DOI: 10.1021/jp991021m

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Laser Flash Photolysis Investigation of the Triplet−Triplet Annihilation of Anthracene in Supercritical Water

Mary J. Kremer, Karen A. Connery, Matthew M. DiPippo, Junbo Feng, John E. Chateauneuf, and Joan F. Brennecke

pp 6591–6598

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp991097i

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Determination of the Structure of the 1,2,4,7-anti-Tetramethyl-2-norbornyl Cation: An AIM Study

Heidi M. Muchall and Nick H. Werstiuk

pp 6599–6602

Publication Date (Web): July 28, 1999 (Article)

DOI: 10.1021/jp9912298

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MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Structural and Conformational Dependence of Optical Rotation Angles

Rama K. Kondru, Peter Wipf, and David N. Beratan

pp 6603–6611

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp990697e

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Energy Increment Method Based on Quantum Chemical Results: A General Recipe for Approximative Prediction of Isomerization and Tautomerization Energies of Pyrimidine and Purine Nucleic Acid Bases and Related Compounds

Tae-Kyu Ha, Hans-J. Keller, Rok Gunde, and Hans-H. Gunthard

pp 6612–6623

Publication Date (Web): July 30, 1999 (Article)

DOI: 10.1021/jp984564p

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A Gaussian-2 Quantum Chemical Study of CHNO: Isomerization and Molecular Dissociation Reactions

Warwick A. Shapley and George B. Bacskay

pp 6624–6631

Publication Date (Web): August 04, 1999 (Article)

DOI: 10.1021/jp990294e

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The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine−Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution

Yongho Kim, Sangbae Lim, and Yangsoo Kim

pp 6632–6637

Publication Date (Web): July 30, 1999 (Article)

DOI: 10.1021/jp990398p

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Conformations and Barriers of Haloethyl Radicals (CH₂XCH₂, X = F, Cl, Br, I): Ab Initio Studies

Hyotcherl Ihee, Ahmed H. Zewail, and William A. Goddard III

pp 6638–6649

Publication Date (Web): July 28, 1999 (Article)

DOI: 10.1021/jp990867n

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Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals

Philippe Lahorte, Frank De Proft, Gauthier Vanhaelewyn, Bert Masschaele, Peter Cauwels, Freddy Callens, Paul Geerlings, and Wim Mondelaers

pp 6650–6657

Publication Date (Web): July 30, 1999 (Article)

DOI: 10.1021/jp990942u

Abstract | Supporting Info

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S₁−S₀ Internal Conversion in Ketene. 1. The Role of Conical Intersections

David R. Yarkony

pp 6658–6668

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp9910136

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Aromatic Character of [n]Helicenes and [n]Phenacenes

Jerome M. Schulman and Raymond L. Disch

pp 6669–6672

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp9910587

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Ab Initio Study of the Reaction of NO₃ with the OH Radical

Luminita C. Jitariu and David M. Hirst

pp 6673–6677

Publication Date (Web): July 30, 1999 (Article)

DOI: 10.1021/jp991709z

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GENERAL PHYSICAL CHEMISTRY

Spatial and Electronic Structure of Highly Basic Organic Molecules: Cyclopropeneimines and Some Related Systems

Zvonimir B. Maksić,, and Borislav Kova

ević

pp 6678–6684

Publication Date (Web): August 03, 1999 (Article)

DOI: 10.1021/jp990511b

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Table of Contents

FEATURE ARTICLE

Photoexcitation, Ionization, and Dissociation of Molecules Using Intense Near-Infrared Radiation of Femtosecond Duration

ARTICLES
DYNAMICS AND RELAXATION

Diffusion and Structure in Water−Alcohol Mixtures: Water + tert-Butyl Alcohol (2-Methyl-2-Propanol)

Reduction of NO with CH₄ Effected by Copper Oxide Clusters in the Channels of ZSM-5

Electronic Energy Transfer in Multichromophoric Arrays. A Sequential and Superexchange Dynamics Study

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Reactions of Laser-Ablated Y and La Atoms, Cations and Electrons with O₂. Infrared Spectra and Density Functional Calculations of the MO, MO⁺, MO₂, MO₂⁺, and MO₂^- Species in Solid Argon

Magnetic Circular Dichroism of C₆₀⁺ and C₆₀^- Radicals in Argon Matrixes

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Production of HCl in the OH + ClO Reaction: Laboratory Measurements and Statistical Rate Theory Calculations

Dissociative Recombination of H₃O⁺

Transition Scenarios during the Evolution of the Belousov−Zhabotinsky Reaction in an Unstirred Batch Reactor

Transients of the Oxidation of Pyrimidines with SO₄^•-: Structure and Reactivity of the Resulting Radicals

Measurements of Primary Radical Concentrations Generated by Pulsed Laser Photolysis Using Fluorescence Detection

Peroxynitrous Acid Decomposes via Homolysis: Evidence from High-Pressure Pulse Radiolysis

Laser Flash Photolysis Investigation of the Triplet−Triplet Annihilation of Anthracene in Supercritical Water

Determination of the Structure of the 1,2,4,7-anti-Tetramethyl-2-norbornyl Cation: An AIM Study

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Structural and Conformational Dependence of Optical Rotation Angles

Energy Increment Method Based on Quantum Chemical Results: A General Recipe for Approximative Prediction of Isomerization and Tautomerization Energies of Pyrimidine and Purine Nucleic Acid Bases and Related Compounds

A Gaussian-2 Quantum Chemical Study of CHNO: Isomerization and Molecular Dissociation Reactions

The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine−Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution

Conformations and Barriers of Haloethyl Radicals (CH₂XCH₂, X = F, Cl, Br, I): Ab Initio Studies

Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals

S₁−S₀ Internal Conversion in Ketene. 1. The Role of Conical Intersections

Aromatic Character of [n]Helicenes and [n]Phenacenes

Ab Initio Study of the Reaction of NO₃ with the OH Radical

GENERAL PHYSICAL CHEMISTRY

Spatial and Electronic Structure of Highly Basic Organic Molecules: Cyclopropeneimines and Some Related Systems

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Table of Contents

FEATURE ARTICLE

ARTICLESDYNAMICS AND RELAXATION

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

GENERAL PHYSICAL CHEMISTRY

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