The Journal of Physical Chemistry A (ACS Publications)

Perspective authors talk about their research

Chlorine-Catalyzed Ozone Destruction: Cl Atom Production from ClOOCl Photolysis

Super-Resolution Photoelectron Imaging with Real-Time Subpixelation by Field Programmable Gate Array and Its Application to NO and Benzene Photoionization

Differential Cross Sections for Rotational Excitation of ND₃ by Ne

Roaming Dynamics in Formaldehyde-d₂ Dissociation

Decomposition of Naphthalene by dc Gliding Arc Gas Discharge

Photoisomerization and Thermal Isomerization of Shuttlecock- and Bowl-Equipped (Phenylazo)pyridines

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Current Issue

Publishing research on dynamics; clusters; excited states; kinetics; spectroscopy; atmospheric, environmental and green chemistry; molecular structure; quantum chemistry; and general theory.

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Just Accepted manuscripts are peer-reviewed and accepted for publication. They are posted online prior to technical editing, formatting for publication and author proofing.

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Articles ASAP (As Soon As Publishable)

ASAP articles are edited and published online ahead of print.

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Discrimination of Chiral Solids: A Terahertz Spectroscopic Investigation of l- and dl-Serine

Matthew D. King, Patrick M. Hakey and Timothy M. Korter

J. Phys. Chem. A, Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 9, 2010 (Article)

DOI: 10.1021/jp911863v

Abstract

Interchain Interactions in Organic Conjugated Dimers: A Composite-Molecule Approach

Hsin-Chieh Lin and Bih-Yaw Jin

J. Phys. Chem. A, Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 9, 2010 (Article)

DOI: 10.1021/jp909181p

Abstract

Canonical Variational Transition-State Theory Study of the CF₃CHFCH₂F + OH Reaction

ngels Gonz

lez-Lafont, Jos

M. Lluch, Adri

n Varela-

lvarez and Jos

A. Sordo

J. Phys. Chem. A, Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 9, 2010 (Article)

DOI: 10.1021/jp909675u

Abstract | Supporting Info

On the Anomalous Decomposition and Reactivity of Ammonium and Potassium Dinitramide

Martin Rahm and Tore Brinck

J. Phys. Chem. A, Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 9, 2010 (Article)

DOI: 10.1021/jp911277r

Abstract

Orbitals That Are Unrestricted in Active Pairs for Generalized Valence Bond Coupled Cluster Methods

Keith V. Lawler, David W. Small and Martin Head-Gordon

J. Phys. Chem. A, Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 9, 2010 (Article)

DOI: 10.1021/jp911009f

Abstract

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Current Issue

The latest published issue of The Journal of Physical Chemistry A.

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Combined Experimental and Theoretical Study of Al_nX (n = 1−6; X = As, Sb) Clusters: Evidence of Aromaticity and the Jellium Model

Joshua J. Melko, Pene

A. Clayborne, Charles E. Jones, Jr., J. Ulises Reveles, Ujjwal Gupta, Shiv N. Khanna and A. W. Castleman, Jr.

J. Phys. Chem. A, 2010, 114 (5), pp 2045–2052

Publication Date (Web): January 13, 2010 (Article)

DOI: 10.1021/jp908406h

Abstract | Supporting Info

Photodissociation Dynamics of Propargyl Alcohol at 212 nm: The OH Production Channel

Ji Hye Lee, Hyonseok Hwang, Chan Ho Kwon and Hong Lae Kim

J. Phys. Chem. A, 2010, 114 (5), pp 2053–2058

Publication Date (Web): January 6, 2010 (Article)

DOI: 10.1021/jp9091865

Abstract

Time-Resolved Electron Paramagnetic Resonance Study of Rhodium(III) Corrole Excited States

Linn Wagnert, Alexander Berg, Irena Saltsman, Zeev Gross and Vladimir Rozenshtein

J. Phys. Chem. A, 2010, 114 (5), pp 2059–2072

Publication Date (Web): January 13, 2010 (Article)

DOI: 10.1021/jp909967b

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Structure of Zirconocene Complexes Relevant for Olefin Catalysis: Infrared Fingerprint of the Zr(C₅H₅)₂(OH)(CH₃CN)⁺ Cation in the Gas Phase

Anita Lagutschenkov, Andreas Springer, Ulrich Joseph Lorenz, Philippe Maitre and Otto Dopfer

J. Phys. Chem. A, 2010, 114 (5), pp 2073–2079

Publication Date (Web): January 19, 2010 (Article)

DOI: 10.1021/jp910035w

Abstract | Supporting Info

Radiolytic Yield of U^IV Oxidation into U^VI: A New Mechanism for U^V Reactivity in Acidic Solution

E. Atinault, V. De Waele, J. Belloni, C. Le Naour, M. Fattahi and M. Mostafavi

J. Phys. Chem. A, 2010, 114 (5), pp 2080–2085

Publication Date (Web): January 15, 2010 (Article)

DOI: 10.1021/jp9051177

Abstract

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Most Read Articles

Most Read articles are updated on a monthly basis and available as 1 month and 12 month lists. Below is a Top 5 excerpt from the 1 month list.

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Theoretical Screening of −NH₂-, −OH-, −CH₃-, −F-, and −SH-Substituted Porphyrins As Sensitizer Candidates for Dye-Sensitized Solar Cells

Ruimin Ma, Ping Guo, Linlin Yang, Lianshun Guo, Xianxi Zhang, Mohammad K. Nazeeruddin and Michael Gr

tzel

J. Phys. Chem. A, 2010, 114 (4), pp 1973–1979

Publication Date (Web): January 12, 2010 (Article)

DOI: 10.1021/jp909787t

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Editorial for January 2010

George C. Schatz

J. Phys. Chem. A, 2010, 114 (1), p 1

Publication Date (Web): January 7, 2010 (Editorial)

DOI: 10.1021/jp911612h

Abstract

Detailed Kinetic Monte Carlo Simulations of Graphene-Edge Growth

Russell Whitesides and Michael Frenklach

J. Phys. Chem. A, 2010, 114 (2), pp 689–703

Publication Date (Web): December 14, 2009 (Feature Article)

DOI: 10.1021/jp906541a

Abstract | Supporting Info

Hyperfine Resolved Fourier Transform Microwave and Millimeter-Wave Spectroscopy of the Iodomethyl Radical, CH₂I (²B₁)

phane Bailleux, Patrik Kania and Jan Sk

nsk

, Toshiaki Okabayashi, Mitsutoshi Tanimoto and Satoshi Matsumoto, Hiroyuki Ozeki

J. Phys. Chem. A, Articles ASAP (As Soon As Publishable)

Publication Date (Web): January 4, 2010 (Article)

DOI: 10.1021/jp909323h

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van der Waals Interactions in Molecular Assemblies from First-Principles Calculations

Yan Li, Deyu Lu, Huy-Viet Nguyen and Giulia Galli

J. Phys. Chem. A, 2010, 114 (4), pp 1944–1952

Publication Date (Web): December 31, 2009 (Article)

DOI: 10.1021/jp9095425

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Most Cited Articles

Most Cited articles are updated on a monthly basis and available as Last 3 Years and All Time lists. Citation data is made available by participants in CrossRef's Cited-by Linking service. Below is an excerpt from the Last 3 Years list (published across all volumes). For a more comprehensive list of citations, users are encouraged to perform a search in SciFinder.

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Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone and Maurizio Cossi

J. Phys. Chem. A, 1998, 102 (11), pp 1995–2001

Publication Date (Web): February 20, 1998 (Article)

DOI: 10.1021/jp9716997

Abstract

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Adiabatic Connection for Kinetics

Benjamin J. Lynch, Patton L. Fast, Maegan Harris, and Donald G. Truhlar

J. Phys. Chem. A, 2000, 104 (21), pp 4811–4815

Publication Date (Web): May 09, 2000 (Letter)

DOI: 10.1021/jp000497z

Abstract

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When Gold Is Not Noble: Nanoscale Gold Catalysts

A. Sanchez, S. Abbet, U. Heiz, W.-D. Schneider, H. Häkkinen, R. N. Barnett, and Uzi Landman

J. Phys. Chem. A, 1999, 103 (48), pp 9573–9578

Publication Date (Web): November 9, 1999 (Letter)

DOI: 10.1021/jp9935992

Abstract

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The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii

Di Qiu, Peter S. Shenkin, Frank P. Hollinger, and W. Clark Still

J. Phys. Chem. A, 1997, 101 (16), pp 3005–3014

Publication Date (Web): April 17, 1997 (Article)

DOI: 10.1021/jp961992r

Abstract | Supporting Info

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Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

David J. WalesJonathan P. K. Doye

J. Phys. Chem. A, 1997, 101 (28), pp 5111–5116

Publication Date (Web): July 10, 1997 (Article)

DOI: 10.1021/jp970984n

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About the Journal

Just Accepted Manuscripts

Articles ASAP (As Soon As Publishable)

Discrimination of Chiral Solids: A Terahertz Spectroscopic Investigation of l- and dl-Serine

Interchain Interactions in Organic Conjugated Dimers: A Composite-Molecule Approach

Canonical Variational Transition-State Theory Study of the CF₃CHFCH₂F + OH Reaction

On the Anomalous Decomposition and Reactivity of Ammonium and Potassium Dinitramide

Orbitals That Are Unrestricted in Active Pairs for Generalized Valence Bond Coupled Cluster Methods

Current Issue

Combined Experimental and Theoretical Study of Al_nX (n = 1−6; X = As, Sb) Clusters: Evidence of Aromaticity and the Jellium Model

Photodissociation Dynamics of Propargyl Alcohol at 212 nm: The OH Production Channel

Time-Resolved Electron Paramagnetic Resonance Study of Rhodium(III) Corrole Excited States

Structure of Zirconocene Complexes Relevant for Olefin Catalysis: Infrared Fingerprint of the Zr(C₅H₅)₂(OH)(CH₃CN)⁺ Cation in the Gas Phase

Radiolytic Yield of U^IV Oxidation into U^VI: A New Mechanism for U^V Reactivity in Acidic Solution

Most Read Articles

Theoretical Screening of −NH₂-, −OH-, −CH₃-, −F-, and −SH-Substituted Porphyrins As Sensitizer Candidates for Dye-Sensitized Solar Cells

Editorial for January 2010

Detailed Kinetic Monte Carlo Simulations of Graphene-Edge Growth

Hyperfine Resolved Fourier Transform Microwave and Millimeter-Wave Spectroscopy of the Iodomethyl Radical, CH₂I (²B₁)

van der Waals Interactions in Molecular Assemblies from First-Principles Calculations

Most Cited Articles

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Adiabatic Connection for Kinetics

When Gold Is Not Noble: Nanoscale Gold Catalysts

The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

ACS Divisions

Emerging Research Frontiers

Virtual Issue

Feature Articles

Special Issues

Announcements

Browse By Issue

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