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25 Most-Cited Articles in the History of JPC

Direct Observation of a Dark State in the Photocycle of a Light-Driven Molecular Motor

Saeed Amirjalayer*, Arjen Cnossen, Wesley R. Browne, Ben L. Feringa, Wybren J. Buma*, and Sander Woutersen*

How to Compute Electron Ionization Mass Spectra from First Principles

Christoph Alexander Bauer and Stefan Grimme*

Dissociative Ionization Mechanism and Appearance Energies in Adipic Acid Revealed by Imaging Photoelectron Photoion Coincidence, Selective Deuteration, and Calculations

Maarten F. Heringa, Jay G. Slowik, André S. H. Prévôt, Urs Baltensperger, Patrick Hemberger, and Andras Bodi*

Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications

Yury V. Suleimanov*, F. Javier Aoiz*, and Hua Guo*

Nitrate Photolysis in Salty Snow

Karen J. Morenz, Qianwen Shi, Jennifer G. Murphy, and D. James Donaldson*

    Articles ASAP (As Soon As Publishable)

    ASAP articles are edited and published online ahead of issue. See all ASAP articles.

    Modeling of Extended N—H Solids at High Pressures

    I. G. Batyrev
    Publication Date (Web): December 22, 2016 (Article)
    DOI: 10.1021/acs.jpca.6b08255
    Figure

    First-Principles Study of Molecular Clusters Formed by Nitric Acid and Ammonia

    Jinfei Ling, Xunlei Ding, Zhenyu LiJinlong Yang
    Publication Date (Web): January 1, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b09185
    Figure

    Surface Orientation and Temperature Effects on the Interaction of Silicon with Water: Molecular Dynamics Simulations Using ReaxFF Reactive Force Field

    Jialin Wen, Tianbao Ma, Weiwei Zhang, Adri C. T. van Duin, and Xinchun Lu
    Publication Date (Web): January 3, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b11310
    Figure

    Combined Utilization of 1H NMR, IR, and Theoretical Calculations To Elucidate the Conformational Preferences of Some l-Histidine Derivatives

    Carolyne B. BragaRoberto Rittner
    Publication Date (Web): January 4, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b12515
    Figure

    Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods

    Jan H. JensenChristopher J. Swain, Lars Olsen
    Publication Date (Web): January 5, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b10990
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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. See all Just Accepted Manuscripts.

    Theoretical Study of Silicon Monoxide Reactions with Ammonia and Methane

    Huyen Thi Nguyen, Tran Dieu Hang, and Minh Tho Nguyen
    Publication Date (Web): January 13, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b11665
    Figure

    Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study

    Akinori Shimizu, Yoshihisa Inoue, and Tadashi Mori
    Publication Date (Web): January 13, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b12287
    Figure

    Observation of the Ring Puckering Vibrational Mode in Thietane Cation

    Yu Ran Lee, Chung Bin Park, Jiye Hwang, Bongjune Sung, Hong Lae Kim, and Chan Ho Kwon
    Publication Date (Web): January 13, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b12724
    Figure

    Theoretical Prediction on [5]radialene Sandwich Complexes (CpM)2(C10H10) (Cp = η5-C5H5; M = Fe, Co, Ni): Geometry, Spin States, and Bonding

    Nan-nan Liu, Ying-ying Xue, and Yi-hong Ding
    Publication Date (Web): January 12, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b11066
    Figure

    Acidity of M(VI)O2(OH)2 for M = Group 6, 16, and U as Central Atoms

    Rulin Feng, Monica Vasiliu, Kirk A. Peterson, and David A Dixon
    Publication Date (Web): January 11, 2017 (Article)
    DOI: 10.1021/acs.jpca.6b11889
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    Current Issue

    The latest published issue of The Journal of Physical Chemistry A. See all articles.

    Editorial for January 2017 for JPC A/B/C

    Anne B. McCoy (Deputy Editor), Joan-Emma Shea (Deputy Editor), Catherine J. Murphy (Deputy Editor), and George C. Schatz
    Publication Date (Web): January 12, 2017 (Editorial)
    DOI: 10.1021/acs.jpca.6b11794
    Figure

    Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO

    Rabi Chhantyal-Pun, Oliver Welz, John D. Savee, Arkke J. Eskola, Edmond P. F. Lee, Lucy Blacker, Henry R. Hill, Matilda Ashcroft, M. Anwar H. Khan, Guy C. Lloyd-Jones, Louise Evans, Brandon Rotavera, Haifeng Huang, David L. Osborn, Daniel K. W. Mok, John M. Dyke, Dudley E. Shallcross, Carl J. Percival, Andrew J. Orr-Ewing, and Craig A. Taatjes
    Publication Date (Web): October 18, 2016 (Article)
    DOI: 10.1021/acs.jpca.6b07810
    Figure

    Hydroxyacetone Production From C3 Criegee Intermediates

    Craig A. Taatjes, Fang Liu, Brandon Rotavera, Manoj Kumar, Rebecca Caravan, David L. Osborn, Ward H. Thompson, and Marsha I. Lester
    Publication Date (Web): December 21, 2016 (Article)
    DOI: 10.1021/acs.jpca.6b07712
    Figure

    Determining Rate Constants and Mechanisms for Sequential Reactions of Fe+ with Ozone at 500 K

    Joshua J. MelkoShaun G. Ard, Trí Lê, Gregory S. Miller, Oscar Martinez Jr., Nicholas S. Shuman, Albert A. Viggiano
    Publication Date (Web): December 6, 2016 (Article)
    DOI: 10.1021/acs.jpca.6b08971
    Figure

    Detection of Neutral Species in the MALDI Plume Using Femtosecond Laser Ionization: Quantitative Analysis of MALDI-MS Signals Based on a Semiequilibrium Proton Transfer Model

    Tatsuro Shirota, Masashi Tsuge, Yasumasa Hikosaka, Koichi Soejima, and Kennosuke Hoshina
    Publication Date (Web): December 9, 2016 (Article)
    DOI: 10.1021/acs.jpca.6b09591
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    Most Read Articles

    Most Read articles are refreshed daily and are based on full text downloads (PDF and HTML) from the previous 30 days and previous 12 months. Below is a Top 5 excerpt from the previous 30 days.

    Celebrating Our 120th Anniversary

    George C. Schatz (Editor-in-Chief)
    Publication Date (Web): December 15, 2016 (Editorial)
    DOI: 10.1021/acs.jpca.6b10935
    Figure

    van der Waals Volumes and Radii

    A. Bondi
    Publication Date: March 1964 (Article)
    DOI: 10.1021/j100785a001
    ACS Legacy Archive
    Figure

    Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site

    Karel Berka, Tereza Hendrychová, Pavel Anzenbacher, and Michal Otyepka
    Publication Date (Web): July 11, 2011 (Article)
    DOI: 10.1021/jp204488j
    Figure

    Heterogeneous Oxidation of Catechol

    Elizabeth A. Pillar, Ruixin Zhou, and Marcelo I. Guzman
    Publication Date (Web): September 25, 2015 (Article)
    DOI: 10.1021/acs.jpca.5b07914
    Figure

    Exact stochastic simulation of coupled chemical reactions

    Daniel T. Gillespie
    Publication Date: December 1977 (Article)
    DOI: 10.1021/j100540a008
    ACS Legacy Archive
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    Richard P. Van Duyne Festschrift
    September 22, 2016
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    J. Andrew McCammon Festschrift
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    Kohei Uosaki Festschrift
    July 28, 2016
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    Piergiorgio Casavecchia and Antonio Lagana Festschrift
    July 14, 2016
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    William M. Gelbart Festschrift
    July 7, 2016
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    Ronnie Kosloff Festschrift
    May 19, 2016
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    James G. Anderson Festschrift
    March 10, 2016
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    Bruce C. Garrett Festschrift
    March 3, 2016
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    Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters: Theory, Experiment, and Applications
    February 4, 2016
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