Editorial Cite This: J. Phys. Chem. B 2018, 122, 1−7
pubs.acs.org/JPCB
Editorial for January 2018 for JPC A/B/C dating from Marie Curie (our first female author) to 66 recent papers by women who have been involved in JPC as Editors, Editorial Advisory Board members, and award winners. Other VIs done this year were Memorial Issues for David Chandler and Mildred Dresselhaus.
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appy New Year to the authors, reviewers, and readers of The Journal of Physical Chemistry (JPC). 2017 was an active year for the Journal, with about 5,000 papers published in JPC A/B/C and an additional 1,000 papers in JPC Letters. We thank the authors and reviewers of the journal for continuing to support this worldwide community effort.
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EDITORS’ CHOICE ARTICLES Editors’ Choice is a program whereby one newly published paper, selected from all ACS journals, is posted online each day as a fully open access paper. A list of all of the Editors’ Choice articles is available at http://pubs.acs.org/editorschoice/. Editors’ Choice articles appearing in JPC this year are listed in Table 3.
VIEWPOINTS ON NEW PHYSICAL INSIGHTS An important requirement for papers published in JPC is that they provide important new physical insights. There are many different points of view as to what this means, and these can change as research in a given area evolves. As a service to our authors and reviewers, the JPC editors decided to write a series of Viewpoint articles that discuss what we mean from a variety of different perspectives. Table 1 provides a list of the Viewpoints that have been published so far. Additional Viewpoints on this topic will appear, and eventually, we will combine them into a Virtual Issue with an editorial that overviews what we have discussed for authors and reviewers. In addition, our recently updated “Author Guidelines” document provides detailed information related to New Physical Insights as applies to certain categories of papers. This is located at http://pubs.acs.org/ paragonplus/submission/jpcafh/jpcafh_authguide.pdf.
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SPECIAL ISSUES A catalog of the Special Issues that have appeared in JPC A/B/C is available at http://pubs.acs.org/page/JPChax/special-issues/ index.html. In 2017, we published the Special Issues listed in Table 4, including a Festschrift for Mark Gordon, a Memorial Issue for Klaus Schulten, and an issue that came from a meeting entitled “International Symposium on Small Particles and Inorganic Clusters”.
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FEATURE AND REVIEW ARTICLES AND VIEWPOINTS A compilation of our “Featured Content” is under a tab with this name on the JPC web pages. Table 5 lists articles of this type that have appeared in 2017. Authors or readers who have ideas for these articles are encouraged to contact the Deputy Editor for the journal part (A, B, or C) in which the article would appear.
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VIRTUAL ISSUES We have been particularly active with Virtual Issues this year. Virtual Issues (VIs) are collections of articles previously published in JPC or other ACS journals that are designed to highlight content and show interrelationships between papers. Table 2 provides a list of the VIs published this year, along with a brief description of what each VI is about. Sometimes we have a Special Issue (content relating to the contents of a meeting, or in honor of a person, or organized by a Guest Editor, or one of the JPC editors on a specific topic) that is published as a VI. We call this a Virtual Special Issue, and the one we did in 2017 is identified as a VSI in Table 2. We also use VIs to highlight a rapidly developing scientific topic. This can include papers published in a single journal or among several ACS journals in which many papers related to the topic have appeared. The list in Table 2 mentions several issues of this type, such as “B” is for Biophysics and Lead-Free Metal Halide Perovskites. A third possibility is that we do a VI to highlight papers that can be grouped from a given country or involving some theme. Particularly notable Virtual Issues this year were concerned with authors and papers from India (entitled Physical Chemistry in India), from Australia (Authors in Australia, as part of the 100th anniversary of the Royal Australian Chemical Institute), and from Canada (Hot Materials Chemistry in a Cool Country, as part of the 100th meeting of the Canadian Chemistry Conference). Also, we organized a VI entitled IUPAC 2017 - South America! that highlighted chemistry in Brazil. In celebration of the 150th birthday of Marie Curie, we published a VI entitled Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists that highlighted women in physical chemistry, © 2018 American Chemical Society
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SOCIAL MEDIA Thanks to Sai Konda, there has been a lot of activity on our Facebook (http://www.facebook.com/home.php?#!/ JournalofPhysicalChemistry) and Twitter (@JPhysChem) pages.
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INTERNATIONAL MEETINGS To build on our links with China, JPC was the coorganizer of an ACS Publications Symposium in Dalian, China, on September 24−26, 2017, entitled Innovation in Energy Conversion. A web page which describes talks and participants can be viewed at https:// symposium.acs.org/2017/dalian/. George Schatz and Xueming Yang were among the coorganizers. In addition, as part of our ongoing efforts to strengthen ties with India, George Schatz was a speaker at the Chemical Research Society of India and ACS Joint Symposium which took place at the Indian Institute of Chemical Technology (IICT), Hyderabad, India, on July 13, 2017 (http:// crsi.org.in/index.php/events/crsi-acs-cooperation).
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TRANSITIONS This year Kwang Kim (UNIST, Korea) retired as JPC Senior Editor and Zhi-Pan Liu (Fudan University, China) joined as a new Senior Editor. Published: January 11, 2018 1
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Table 1. Viewpoints on New Physical Insights What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers George C. Schatz DOI: 10.1021/acs.jpca.7b04302 “New Physical Insights” in Theoretical and Computational Studies T. Daniel Crawford and Anne B. McCoy DOI: 10.1021/acs.jpca.7b05908 Considering “Physical Insights” in Theoretical Studies of Gas Phase Processes Hua Guo and Anne B. McCoy DOI: 10.1021/acs.jpca.7b05943 Environmental Processes at the Solid−Liquid Interface: What Constitutes New Physical Insights? D. Howard Fairbrother and Franz M. Geiger DOI: 10.1021/acs.jpca.7b07669 New Physical Insights: Magnetic Resonance Methods and Applications Sarah C. Larsen DOI: 10.1021/acs.jpca.7b07850 Not Physical Chemistry (in the Eyes of the Journal of Physical Chemistry) Joan-Emma Shea DOI: 10.1021/acs.jpca.7b09596 “New Physical Chemistry Insight” in Experimental Bio-Physical Chemistry Kankan Bhattacharyya, Gang-yu Liu, and Martin T. Zanni DOI: 10.1021/acs.jpcb.7b05757 More than Virtual Reality: Important New Physical Insights in Simulations of Biomolecules and Synthetic Polymers Arun Yethiraj and Pavel Jungwirth DOI: 10.1021/acs.jpcb.7b05957 What is “New Physical Insight”? Answers for the Colloidal Nanoplasmonic, Nanobio Community and Others Catherine J. Murphy DOI: 10.1021/acs.jpcc.7b05313 New Physical Chemistry Insight for Solid-State Materials Gregory V. Hartland DOI: 10.1021/acs.jpcc.7b05878 What is “New Physical Insight”? Suggestions for Transport Studies Gemma C. Solomon DOI: 10.1021/acs.jpcc.7b06249 What Does “Important New Physical Insight” Mean? Answers for the Community of 2D Materials Experimental Researchers Jin Z. Zhang DOI: 10.1021/acs.jpcc.7b06473 New Physical Insights from a Computational Catalysis Perspective William F. Schneider DOI: 10.1021/acs.jpcc.7b06535 New Physical Insights for Manuscripts on Organic and Perovskite-based Photovoltaics (and Other Optoelectronic Devices) Benjamin J. Schwartz DOI: 10.1021/acs.jpcc.7b07675 Electronic Materials: The New Physical Insights Narayan Pradhan DOI: 10.1021/acs.jpcc.7b08003 New Physical Insights in Experimental Studies in Catalysis Eric Weitz DOI: 10.1021/acs.jpcc.7b09354 2
DOI: 10.1021/acs.jpcb.7b11433 J. Phys. Chem. B 2018, 122, 1−7
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Table 1. continued Avoiding the Reject after Editorial Review for X and Characterization [where X = Synthesis, Preparation, or Fabrication] John T. Fourkas DOI: 10.1021/acs.jpcc.7b11006 Suitability of Technology-Driven Research for the Journal of Physical Chemistry C Amy Mullin and Timothy Minton DOI: 10.1021/acs.jpcc.7b11150 Physical Insights from New Nanomaterials in Biology Robert M. Dickson DOI: 10.1021/acs.jpcb.7b11153 What is “New Physical Insight” in Surface Photocatalytic Water Splitting? Xueming Yang DOI: 10.1021/acs.jpca.7b11305 Is the Supporting Information the Venue for Reproducibility and Transparency? Benjamin Rudshteyn, Atanu Acharya, and Victor S. Batista DOI: 10.1021/acs.jpca.7b11663
Table 2. Virtual Issues in JPC in 2017 NMR Developments and Applications http://pubs.acs.org/page/vi/nmrdevelopments January 2017 A collaborative virtual issue of Analytical Chemistry and The Journal of Physical Chemistry that focuses on advances and applications in NMR spectroscopy. “B” is for Biophysics http://pubs.acs.org/page/jpcbfk/vi/biophysics February 2017 A selection of articles demonstrating the useful interplays between techniques of physical chemistry and problems in biophysics and biochemistry. Mark S. Gordon Festschrif t (VSI) http://pubs.acs.org/page/jpcafh/vi/gordon-festschrift April 2017 In honor of Mark Gordon’s many scientific accomplishments and personal interactions throughout his career. Lead-Free Metal Halide Perovskites http://pubs.acs.org/page/vi/metalhalideperovskites April 2017 Highlighting initial success in synthesizing new classes of perovskite materials. Advancing Cancer Research http://pubs.acs.org/page/vi/advancingcancerresearch May 2017 In celebration of National Cancer Research Month in May reporting on seminal advances in the field of cancer research. Hot Materials Chemistry in a Cool Country http://pubs.acs.org/page/vi/csc100anniversary.html May 2017 To celebrate the 100th meeting of the Canadian Chemistry Conference, May 28−June 1, 2017, in Toronto, a multijournal collaborative open access virtual issue by authors in Canada, in the area of materials chemistry. Authors in Australia http://pubs.acs.org/page/vi/raci-centenary-congress June 2017 In celebration of the 100 years of The Royal Australian Chemical Institute (RACI) as the voice of chemistry in Australia, marking RACI as the oldest scientific or technical professional society in Australia. Celebrating the Life and Career of Mildred Dresselhaus http://pubs.acs.org/page/vi/MillieDresselhaus.html June 2017 To celebrate and honor Mildred Dresselhaus’ incredibly productive research career in the area of nanoscience and materials.
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DOI: 10.1021/acs.jpcb.7b11433 J. Phys. Chem. B 2018, 122, 1−7
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Table 2. continued IUPAC 2017 - South America! http://pubs.acs.org/page/vi/iupac2017 June 2017 Dedicated to the celebration of the collaboration between IUPAC and the Brazilian Chemical Society for the 46th World Chemistry Congress of the International Union of Pure and Applied Chemistry (IUPAC-2017). Virtual Issue in Memory of David Chandler http://pubs.acs.org/page/jpcbfk/vi/chandler-memorial June 2017 In memory of David Chandler, a pioneer in the field of statistical mechanics. Deep Eutectic Solvents http://pubs.acs.org/page/vi/deep-eutectic-solvents July 2017 Highlights scientific and engineering advances related to deep eutectic solvents. Physical Chemistry in India http://pubs.acs.org/page/vi/jpc-india.html July 2017 Highlights the science and publications in The Journal of Physical Chemistry associated with scientists in India. National Nanotechnology Day http://pubs.acs.org/page/vi/nanoday2017 October 2017 A collection of articles devoted to groundbreaking developments in nanotechnology and nanoscience in celebration of 2017 Nanotechnology Day. Honoring Marie Curie: Women Physical Chemists http://pubs.acs.org/page/vi/jpc-mariecurie November 2017 In honor of the 150th birthday of Marie Curie, as well as highlighting the science and publications by 66 women scientists and researchers who have published in The Journal of Physical Chemistry (JPC), including JPC A, B, C, and Letters. Metal-Halide Perovskite Nanocrystals http://pubs.acs.org/page/vi/metalhalidperovskitenanocrystals.html November 2017 This virtual issue draws together 34 recent publications from 8 ACS journals that represent the most recent trends in the new area of metal-halide perovskite nanocrystals.
Table 3. Editors’ Choice Articles in 2017 Journal of Physical Chemistry A Singlet−Triplet Gaps through Incremental Full Configuration Interaction Paul M. Zimmerman DOI: 10.1021/acs.jpca.7b03998 How Large is the Elephant in the Density Functional Theory Room? Frank Jensen DOI: 10.1021/acs.jpca.7b04760 In Quest of the Alanine R3 Radical: Multivariate EPR Spectral Analyses of X-Irradiated Alanine in the Solid State Eirik O. Jåstad, Turid Torheim, Kathleen M. Villeneuve, Knut Kvaal, Eli O. Hole, Einar Sagstuen, Eirik Malinen, and Cecilia M. Futsaether DOI: 10.1021/acs.jpca.7b06447 Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy Xue-Bin Wang DOI: 10.1021/acs.jpca.6b09784 Journal of Physical Chemistry B Crowding in Cellular Environments at an Atomistic Level from Computer Simulations Michael Feig, Isseki Yu, Po-hung Wang, Grzegorz Nawrocki, and Yuji Sugita DOI: 10.1021/acs.jpcb.7b03570 The Hydrophobic Effect and the Role of Cosolvents Nico F. A. van der Vegt and Divya Nayar DOI: 10.1021/acs.jpcb.7b06453
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Table 3. continued Journal of Physical Chemistry B Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons Zhu Liu, Jakob Timmermann, Karsten Reuter, and Christoph Scheurer DOI: 10.1021/acs.jpcb.7b06709 Evolutionary Covariance Combined with Molecular Dynamics Predicts a Framework for Allostery in the MutS DNA Mismatch Repair Protein Bharat Lakhani, Kelly M. Thayer, Manju M. Hingorani, and David L. Beveridge DOI: 10.1021/acs.jpcb.6b11976 Journal of Physical Chemistry C Atomistic Understanding of Zeolite Nanosheets for Water Desalination Seyed Hossein Jamali, Thijs J. H. Vlugt, and Li-Chiang Lin DOI: 10.1021/acs.jpcc.7b00214 Doped Amorphous Ti Oxides To Deoptimize Oxygen Reduction Reaction Catalysis Mitchell C. Groenenboom, Rachel M. Anderson, Derek J. Horton, Yasemin Basdogan, Donald F. Roeper, Steven A. Policastro, and John A. Keith DOI: 10.1021/acs.jpcc.7b04210 Positron Probing of Liquid-free Volume To Investigate Adsorption−Desorption Behavior of Water in Two-Dimensional Mesoporous SBA-3 Priya Maheshwari, Marek Gorgol, Agnieszka Kierys, and Radosław Zaleski DOI: 10.1021/acs.jpcc.7b04317 PtRu Alloy Nanoparticles I. Physicochemical Characterizations of Structures Formed as a Function of the Type of Deposition and Their Evolutions on Annealing R. Bavand, A. Korinek, G. A. Botton, A. Yelon, and E. Sacher DOI: 10.1021/acs.jpcc.7b04434 SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces Shaama Mallikarjun Sharada, Thomas Bligaard, Alan C. Luntz, Geert-Jan Kroes, and Jens K. Nørskov DOI: 10.1021/acs.jpcc.7b05677 Heat-Treatment of Defective UiO-66 from Modulated Synthesis: Adsorption and Stability Studies Yang Jiao, Yang Liu, Guanghui Zhu, Julian T. Hungerford, Souryadeep Bhattacharyya, Ryan P. Lively, David S. Sholl, and Krista S. Walton DOI: 10.1021/acs.jpcc.7b07772 X-ray Photoelectron Spectroscopic Investigation of Plasma-Enhanced Chemical Vapor Deposited NiOx, NiOx(OH)y, and CoNiOx(OH)y: Influence of the Chemical Composition on the Catalytic Activity for the Oxygen Evolution Reaction Natascha Weidler, Jona Schuch, Florian Knaus, Patrick Stenner, Sascha Hoch, Artjom Maljusch, Rolf Schäfer, Bernhard Kaiser, and Wolfram Jaegermann DOI: 10.1021/acs.jpcc.6b12652
Table 4. Special Issues in 2017 ISSPIC XVIII: International Symposium on Small Particles and Inorganic Clusters 2016 http://pubs.acs.org/toc/jpccck/121/20 May 25, 2017 Klaus Schulten Memorial Issue http://pubs.acs.org/toc/jpcbfk/121/15 April 20, 2017 Mark S. Gordon Festschrift http://pubs.acs.org/page/jpcafh/vi/gordon-festschrift April 13, 2017
Table 5. Feature and Review Articles, Other Viewpoints Journal of Physical Chemistry A Multiphase Photochemistry of Pyruvic Acid under Atmospheric Conditions Allison E. Reed Harris, Aki Pajunoja, Mathieu Cazaunau, Aline Gratien, Edouard Pangui, Anne Monod, Elizabeth C. Griffith, Annele Virtanen, Jean-Francois Doussin, and Veronica Vaida DOI: 10.1021/acs.jpca.7b01107 Atmospheric Aqueous Aerosol Surface Tensions: Isotherm-Based Modeling and Biphasic Microfluidic Measurements Hallie C. Boyer and Cari S. Dutcher DOI: 10.1021/acs.jpca.7b03189 5
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Table 5. continued Journal of Physical Chemistry A Dynamics and Novel Mechanisms of SN2 Reactions on ab Initio Analytical Potential Energy Surfaces István Szabó and Gábor Czakó DOI: 10.1021/acs.jpca.7b08140 Hybrid Equation-of-Motion Coupled-Cluster/Effective Fragment Potential Method: A Route toward Understanding Photoprocesses in the Condensed Phase Debashree Ghosh DOI: 10.1021/acs.jpca.6b08263 Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames Alexander M. Mebel, Alexander Landera, and Ralf I. Kaiser DOI: 10.1021/acs.jpca.6b09735 Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy Xue-Bin Wang DOI: 10.1021/acs.jpca.6b09784 Journal of Physical Chemistry B Combining Graphical and Analytical Methods with Molecular Simulations to Analyze Time-Resolved FRET Measurements of Labeled Macromolecules Accurately Thomas-Otavio Peulen, Oleg Opanasyuk, and Claus A. M. Seidel DOI: 10.1021/acs.jpcb.7b03441 Crowding in Cellular Environments at an Atomistic Level from Computer Simulations Michael Feig, Isseki Yu, Po-hung Wang, Grzegorz Nawrocki, and Yuji Sugita DOI: 10.1021/acs.jpcb.7b03570 Role of Water Solidification Concepts in Designing Nano-Textured Anti-Icing Surfaces Behnam Gohari, Kyle Russell, Vahid Hejazi, and Pradeep Rohatgi DOI: 10.1021/acs.jpcb.7b04081 The Hydrophobic Effect and the Role of Cosolvents Nico F. A. van der Vegt and Divya Nayar DOI: 10.1021/acs.jpcb.7b06453 Unwinding Induced Melting of Double-Stranded DNA Studied by Free Energy Simulations Korbinian Liebl and Martin Zacharias DOI: 10.1021/acs.jpcb.7b07701 The Grateful Infrared: Sequential Protein Structural Changes Resolved by Infrared Difference Spectroscopy ́ Tilman Kottke, Victor A. Lórenz-Fonfria,́ and Joachim Heberle DOI: 10.1021/acs.jpcb.6b09222 Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions ́ Halil I. Okur, Jana Hladilková , Kelvin B. Rembert, Younhee Cho, Jan Heyda, Joachim Dzubiella, Paul S. Cremer, and Pavel Jungwirth DOI: 10.1021/acs.jpcb.6b10797 Journal of Physical Chemistry C Plasmonic Copper Sulfide-Based Materials: A Brief Introduction to Their Synthesis, Doping, Alloying, and Applications Yang Liu, Maixian Liu, and Mark T. Swihart DOI: 10.1021/acs.jpcc.7b00894 Dynamics of Surface Plasmon Polaritons in Metal Nanowires Paul Johns, Gary Beane, Kuai Yu, and Gregory V. Hartland DOI: 10.1021/acs.jpcc.6b12748 Near-Field Electrospinning: Progress and Applications Xiao-Xiao He, Jie Zheng, Gui-Feng Yu, Ming-Hao You, Miao Yu, Xin Ning, and Yun-Ze Long DOI: 10.1021/acs.jpcc.6b12783 Other Viewpoints Viewpoints on the 2017 Pacific Conference on Spectroscopy and Dynamics James D. Gaynor and Marissa L. Weichman J. Phys. Chem. A, 2017, 121 (15), pp 2863−2867 DOI: 10.1021/acs.jpca.7b02628 6
DOI: 10.1021/acs.jpcb.7b11433 J. Phys. Chem. B 2018, 122, 1−7
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Table 5. continued Other Viewpoints Can Orbitals Really Be Observed in Scanning Tunneling Microscopy Experiments? Buu Q. Pham and Mark S. Gordon J. Phys. Chem. A, 2017, 121 (26), pp 4851−4852 DOI: 10.1021/acs.jpca.7b05789 Viewpoints on the 2017 American Conference on Theoretical Chemistry Zachary K. Goldsmith, Justin Provazza, and Stefan Seritan J. Phys. Chem. A, 2017, 121 (41), pp 7807−7812 DOI: 10.1021/acs.jpca.7b09624
We thank our JPC office staff in Evanston, IL, the Deputy Editor Assistants, as well as the many Journal Assistants for their tireless work to make the journal run smoothly and efficiently. We are looking forward to a productive 2018, and we hope that all of you, our authors and reviewers, have a prosperous and successful year!
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Anne B. McCoy, Deputy Editor Joan-Emma Shea, Deputy Editor Catherine J. Murphy, Deputy Editor George C. Schatz, Editor-in-Chief AUTHOR INFORMATION
ORCID
Anne B. McCoy: 0000-0001-6851-6634 Joan-Emma Shea: 0000-0002-9801-9273 Catherine J. Murphy: 0000-0001-7066-5575 George C. Schatz: 0000-0001-5837-4740 Notes
Views expressed in this editorial are those of the authors and not necessarily the views of the ACS. This Editorial is jointly published in The Journal of Physical Chemistry A, B, and C.
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DOI: 10.1021/acs.jpcb.7b11433 J. Phys. Chem. B 2018, 122, 1−7
