Editorial pubs.acs.org/JPCB
Editorial for January 2015 for JPC A/B/C
B
offer authors a wider range of open access license options, such as Creative Commons licenses and provisions for immediate or 12month embargoed open access coupled with a new ACS Certified Deposit service. For complete details see http://acsopenaccess.org/. Special Issues. We published several special issues in 2014. Table 2 provides an overview, including festschrift issues for William C. Swope, James L. Skinner, Michael Grätzel, Franco Gianturco, Kenneth D. Jordan, A. W. Castleman, David R. Yarkony, and John C. Hemminger. We also published five symposium issues: an international meeting in Brazil (QUITEL 2012) concerned with energetics and dynamics of molecules, solids, and surfaces, a series of international symposia in China on theoretical and high performance computational chemistry (ICTPHCC), the Inter-American Photochemical Society (I-APS) international meeting on current topics in photochemistry, the 13th International Conference on the Physics and Chemistry of Ice (PCI-2014), and the Spectroscopy of Nano- and Biomaterials Symposium. Although we have limited capacity for special issues, we continue to seek suggestions for new special issues and virtual issues that highlight leading edge research in physical chemistry. Feature and Review Articles. A number of excellent Feature Articles were published in the journal during 2014 and are listed in Table 3. Authors or readers who have ideas for possible Feature or Review Articles are encouraged to contact one of us. JPC Lectureships. The JPC Lectureships are a new class of awards given to younger scientists from any country who have a record of publishing in JPC, are members of the Physical Division of the ACS, and have made major impacts on the field of physical chemistry in the research areas associated with each journal section. The 2014 JPC Lectureships were awarded to JPC A: Gary Douberly, University of Georgia JPC B: Munira Khalil, University of Washington JPC C: Stephan Hofmann, University of Cambridge Each award winner gave a terrific lecture at the Fall ACS National Meeting in San Francisco in a session that immediately preceded the joint JPC/Physical Division reception on Tuesday evening. We will be awarding the JPC Lectureships again in 2015 and look forward to the lectures, which will be given at the Fall ACS National Meeting in Boston. Social Media. We continue to maintain an active presence on Twitter (@JPhysChem) and Facebook (http://www.facebook. com/JournalofPhysicalChemistry). Zach Pozun has taken over the management of these sites; so if you have news of broad interest to the physical chemistry community, please contact him at [email protected]. We thank our JPC office staff in EvanstonDavine Henderson (Coordinating Editor), Julie Rossetti, Barbara Sydow, Vincent Rezaei, Felicia Miller, and Katherine Corliss for their tireless work to make the journal run smoothly and efficiently. We are also grateful to our Associate Coordinating Editors: Betsy Foran, LeeAnn Pannebaker (now replaced by Catie Carpenter in the Shea office), and Harriet Bradham for their
est wishes for the New Year to the authors, readers, and reviewers of The Journal of Physical Chemistry (JPC). We especially thank our authors and reviewers for their hard work in providing the best possible scientific content and reviews to the journal. Over 6000 papers were published in JPC A/B/C during 2014, and we have the highest number of citations of any of the journals in physical chemistry. Thanks to the submission of high-quality research articles to the journal, we have impact factors and average times to publication that are competitive with any comparable journal in the field. Our journal editors are both accomplished scientists and hard-working editors, so it is not surprising that there have been several transitions among our editors in 2014. Sharon HammesSchiffer (University of Illinois at Urbana−Champaign), who was Deputy Editor of JPC B and had served as a Senior Editor for both JPC and JPC Letters for a total of 13 years, has recently been appointed as Editor-in-Chief of Chemical Reviews. We congratulate Sharon on this important distinction and thank her for many years of service. Joan-Emma Shea (University of California, Santa Barbara) has been appointed as Deputy Editor of JPC B and will move over from JPC Letters. Benedetta Mennucci (University of Pisa), a new editor in early 2014, has moved from JPC A/B/C to JPC Letters. In addition to Benedetta, other new Senior Editors in 2014 include Franz Geiger (Northwestern University), Gemma Solomon (University of Copenhagen), and William Schneider (University of Notre Dame). Paul Wine (Georgia Institute of Technology) has retired after over 20 years as Senior Editor. We thank Paul for his two decades of outstanding service to the journal. Anne McCoy (The Ohio State University) continues in her role as Deputy Editor of JPC A, as does Cathy Murphy (University of Illinois at Urbana−Champaign) as Deputy Editor of JPC C. Having the Deputy Editors in place has led to greater processing efficiency and enhanced leadership. We are now able to provide authors with an additional level of personal attention when needed. Another important position is that of Managing Editor. Zachary Pozun joined us as Managing Editor in 2014, replacing Donna Minton. Previously, Zach had been a National Science Foundation Postdoctoral Fellow in the lab of JPC Senior Editor Kenneth Jordan. Editor’s Choice, Open Access. In January 2014 the ACS instituted an Editors’ Choice program whereby it posts one newly published paper each day as fully open access (http:// pubs.acs.org/editorschoice/). The editors of the ACS journals suggest papers for this distinction and a committee at the ACS makes final selections. Given the large number of ACS journals (>40), we are fortunate to have had a large number of JPC papers included in ACS Editors’ Choice (Table 1). Thus far, our selections include 7 in JPC A, 4 in JPC B, and 9 in JPC C. We strongly urge our readers to look at the papers that are posted daily in ACS Editors’ Choice. ACS Editors’ Choice is one of several activities that the ACS has initiated in 2014 as part of the Open Access Initiative. JPC has been a Gold Open Access journal for many years; however, new options have appeared as a result of ACS AuthorChoice. Effective January 1, 2014, ACS AuthorChoice was expanded to © 2015 American Chemical Society
Published: January 8, 2015 1
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terrific work in managing the Deputy Editor offices for JPC A, B, and C, respectively. Barb, LeeAnn, and Katherine have recently moved on to new positions elsewhere; we wish them luck. We are looking forward to a productive 2015, and we hope that all of you, our authors and reviewers, have a prosperous and successful year!
Editorial
AUTHOR INFORMATION
Notes
Views expressed in this editorial are those of the authors and not necessarily the views of the ACS.
Anne B. McCoy, Deputy Editor Joan-Emma Shea, Deputy Editor Catherine J. Murphy, Deputy Editor George C. Schatz, Editor-in-Chief Table 1. ACS Editors’ Choice Articles Article Title Resonance IR: A Coherent Multidimensional Analogue of Resonance Raman Molecular-Scale Transition Metal Oxide Nanocluster Surface-Modified Titanium Dioxide as Solar-Activated Environmental Catalysts Single-Bundle Carbon-Nanotube-Bridged Nanorod Devices with Control of Gap Length Protein Folding Dynamics in the Cell Chemical and Hydrodynamic Mechanisms for LongTerm Geological Carbon Storage
Comprehensive Study of the CuF2 Conversion Reaction Mechanism in a Lithium Ion Battery Spectroscopic Evaluation of the Nucleation and Growth for Microwave-Assisted CdSe/CdS/ZnS Quantum Dot Synthesis Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings Challenges of and Insights into Acid-Catalyzed Transformations of Sugars
Local Optical Activity in Achiral Two-Dimensional Gold Nanostructures Dissociative Chemisorption of Methane on Ni and Pt Surfaces: Mode-Specific Chemistry and the Effects of Lattice Motion Demonstration of Multiple Logic Operations in a Heteroditopic Pyrene−Phenylimidazole−Terpyridine Conjugate Based on Optical Responses by Selective Anions and Cations: An Experimental and Theoretical Investigation Spectroscopy and Structure of the Simplest Actinide Bonds A Simple and Fast Approach for Predicting 1H and 13 C Chemical Shifts: Toward Chemical Shift-Guided Simulations of RNA Carbon Nitride Photocatalysts for Water Splitting: A Computational Perspective Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/SolventProbe Spectra Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology Frequency-Resolved Nanoscale Chemical Imaging of 4,4-Dimercaptostilbene on Silver The Minimum Amount of “Matrix” Needed for Matrix-Assisted Pulsed Laser Deposition of Biomolecules Accurate and Efficient Quantum Chemistry Calculations of Noncovalent Interactions in ManyBody Systems: The XSAPT Family of Methods
Author(s)
Citation
Erin S. Boyle, Nathan A. Neff-Mallon, Jonathan D. Handali, and John C. Wright Hiroaki Tada, Qiliang Jin, Anna Iwaszuk, and Michael Nolan
J. Phys. Chem. A 2014, 118 (17), 3112−3119. DOI: 10.1021/jp5018554 J. Phys. Chem. C 2014, 118 (23), 12077−12086. DOI: 10.1021/jp412312m
Gwang-Hyeon Nam, Jae-Hyeok Lee, Nur Elida M. Zahari, Najeeb Choolakadavil Khalid, Won-Seok Kang, and Jae-Ho Kim Irisbel Guzman and Martin Gruebele
J. Phys. Chem. C 2014, 118 (19), 10463−10471 DOI: 10.1021/jp501886e
Susan J. Altman, Behdad Aminzadeh, Matthew T. Balhoff, Philip C. Bennett, Steven L. Bryant, M. Bayani Cardenas, Kuldeep Chaudhary, Randall T. Cygan, Wen Deng, Thomas Dewers, David A. DiCarlo, Peter Eichhubl, Marc A. Hesse, Chun Huh, Edward N. Matteo, Yashar Mehmani, Craig M. Tenney, and Hongkyu Yoon Xiao Hua, Rosa Robert, Lin-Shu Du, Kamila M. Wiaderek, Michal Leskes, Karena W. Chapman, Peter J. Chupas, and Clare P. Gray Andrew Zane, Christie McCracken, Deborah A. Knight, W. James Waldman, and Prabir K. Dutta Steven E. Wheeler and Jacob W. G. Bloom Stavros Caratzoulas, Mark E. Davis, Raymond J. Gorte, Rajamani Gounder, Raul F. Lobo, Vladimiros Nikolakis, Stanley I. Sandler, Mark A. Snyder, Michael Tsapatsis, and Dionisios G. Vlachos Shun Hashiyada, Tetsuya Narushima, and Hiromi Okamoto Sven Nave, Ashwani K. Tiwari, and Bret Jackson
J. Phys. Chem. B 2014, 118 (29), 8459−8470. DOI: 10.1021/jp501866v J. Phys. Chem. C 2014, 118 (28), 15103−15113. DOI: 10.1021/jp5006764
J. Phys. Chem. C 2014, 118 (28), 15169−15184. DOI: 10.1021/jp503902z J. Phys. Chem. C 2014, 118 (38), 22258−22267. DOI: 10.1021/jp504755a J. Phys. Chem. A 2014, 118 (32), 6133−6147 DOI: 10.1021/jp504415p J. Phys. Chem. C 2014, 118 (40), 22815−22833. DOI: 10.1021/jp504358d J. Phys. Chem. C 2014, 118 (38), 22229−22233. DOI: 10.1021/jp507168a J. Phys. Chem. A 2014, 118 (41), 9615−9631. DOI: 10.1021/jp5063644
Srikanta Karmakar, Dinesh Maity, Sourav Mardanya, and Sujoy Baitalik
J. Phys. Chem. A 2014, 118 (40), 9397−9410. DOI: 10.1021/jp505507x
Michael C. Heaven, Beau J. Barker, and Ivan O. Antonov Aaron T. Frank, Sean M. Law, and Charles L. Brooks, III
J. Phys. Chem. A 2014, 118 (46), 10867−10881. DOI: 10.1021/jp507283n J. Phys. Chem. B 2014, 118 (42), 12168−12175. DOI: 10.1021/jp508342x
Cristina Butchosa, Pierre Guiglion, and Martijn A. Zwijnenburg Xiang Sun Branka, M. Ladanyi, and Richard M. Stratt
J. Phys. Chem. C 2014, 118 (43), 24833−24842. DOI: 10.1021/jp507372n J. Phys. Chem. B 2015. DOI: 10.1021/jp509021c
Orlando Acevedo
J. Phys. Chem. A 2014, 118 (50), 11653−11666. DOI: 10.1021/jp507967z J. Phys. Chem. C 2014, 118 (47), 27525−27530. DOI: 10.1021/jp509082c
Patrick Z. El-Khoury, Tyler W. Ueltschi, Amanda L. Mifflin, Dehong Hu, and Wayne P. Hess Marshall Tabetah, Andreea Matei, Catalin Constantinescu, Ninell P. Mortensen, Maria Dinescu, Jørgen Schou, and Leonid V. Zhigilei Ka Un Lao and John Michael Herbert
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J. Phys. Chem. B 2014, 118 (46), 13290−13299. DOI: 10.1021/jp508284n J. Phys. Chem. A 2015. DOI: 10.1021/jp5098603
dx.doi.org/10.1021/jp511798b | J. Phys. Chem. B 2015, 119, 1−4
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Table 2. Special Issues Special Issue
Journal Part
Date of Issue
William C. Swope Festschrift James L. Skinner Festschrift Michael Grätzel Festschrift Special Issue for Energy and Dynamics of Molecules, Solids and Surfaces − QUITEL 2012 Franco Gianturco Festschrift Kenneth D. Jordan Festschrift A. W. Castleman, Jr. Festschrift Special Issue for International Conference on Theoretical and High Performance Computational Chemistry Symposium Current Topics in Photochemistry Physics and Chemistry of Ice 2014 Spectroscopy of Nanoand Biomaterials Symposium David Yarkony Festschrift John C. Hemminger Festschrift
JPC B JPC B JPC C JPC A JPC A JPC A JPC A JPC A JPC A JPC B JPC B JPC A JPC C
June 19, 2014 July 17, 2014 July 31, 2014 August 7, 2014 August 21, 2014 September 4, 2014 September 18, 2014 October 2, 2014 November 13, 2014 November 27, 2014 December 11, 2014 December 25, 2014 December 25, 2014
Table 3. Feature and Review Articles Title
Author(s)
Citation J. Phys. Chem. A 2014, 118 (50), 11653−11666. DOI: 10.1021/jp507967z J. Phys. Chem. A 2014, 118 (49), 11433−11450. DOI: 10.1021/jp505498t
Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology Polyatomic Molecules under Intense Laser Irradiation
Orlando Acevedo
Molecular Insights in the Structure and Layered Assembly of Polyelectrolytes at the Oil/Water Interface Spectroscopy and Structure of the Simplest Actinide Bonds
J. Phys. Chem. C 2014, 118 (49), 28331−28343. DOI: 10.1021/jp5068022 Michael C. Heaven, Beau J. Barker, and Ivan O. Antonov J. Phys. Chem. A 2014, 118 (46), 10867−10881. DOI: 10.1021/jp507283n Michael J. Saxton J. Phys. Chem. B 2014, 118 (45), 12805−12817. DOI: 10.1021/jp5059885 Peng Zhang J. Phys. Chem. C 2014, 118 (44), 25291−25299. DOI: 10.1021/jp507739u Dong Yang, Wuilan Chen, and Jianhua Hu J. Phys. Chem. B 2014, 118 (43), 12311−12317. DOI: 10.1021/jp507763a Jeffrey A. Herron, Peter Ferrin, and Manos Maavrikakis J. Phys. Chem. C 2014, 118 (42), 24199−24211. DOI: 10.1021/jp505919x
Wanted: Scalable Tracers for Diffusion Measurements X-ray Spectroscopy of Gold−Thiolate Nanoclusters Design of Controlled Drug Delivery System Based on Disulfide Cleavage Trigger First-Principles Mechanistic Analysis of Dimethyl Ether Electro-Oxidation on Monometallic Single-Crystal Surfaces Dissociative Chemisorption of Methane on Ni and Pt Surfaces: Mode-Selective Chemistry and the Effects of Lattice Motion Dynamics of Chlorine Atom Reactions with Hydrocarbons: Insights from Imaging the Radical Product in Crossed Beams Challenges of and Insights into Acid-Catalyzed Transformations of Sugars
Collective Excitations and Thermodynamics of Disordered State: New Insights into an Old Problem Hydroxyl Radical Recycling in Isoprene Oxidation Driven by Hydrogen Bonding and Hydrogen Tunneling: the Upgraded LIM1 Mechanism Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models Nanostructuring Materials for Solar-to-Hydrogen Conversion Density-Based Partitioning Methods for Ground-State Molecular Calculations Surface Plasmon-Mediated Photothermal Chemistry Synthesis, Characterization, and Computation of Catalysts at the Center for Atomic-Level Catalyst Design
Hidden Scale Invariance in Condensed Matter Panoramic View of Electrochemical Pseudocapacitor and Organic Solar Cell Research in Molecularly Engineered Energy Materials (MEEM)
Arkaprabha Konar, Yinan Shu, Vadim V. Lozovoy, James E. Jackson, Benjamin G. Levine, and Marcos Dantus Ellen Jean Robertson and Geraldine L. Richmond
Sven Naves, Ashwani K. Tiwari, and Bret Jackson
J. Phys. Chem. A 2014, 118 (41), 9615−9631. DOI: 10.1021/jp5063644
Baptiste Joalland, Yuanyuan Shi, Armando, D. Estillore, J. Phys. Chem. A 2014, 118 (40), 9281−9295. DOI: 10.1021/jp504804n Alexander Kamasah, Alexander M. Mebel, and Arthur G. Suits Stavros Caratzoulas, Mark E. Davis, Raymond J. Gorte, J. Phys. Chem. C 2014, 118 (40), 22815−22833. Rajamani Gounder, Raul F. Lobo, Vladimiros Nikolakis, DOI: 10.1021/jp504358d Stanley I. Sandler, Mark A. Snyder, Michael Tsapatsis, and Dionisios G. Vlachos V. V. Brazhkin and K. Trachenko J. Phys. Chem. B 2014, 118 (39), 11417−11427. DOI: 10.1021/jp503647s Jozef Peeters, Jean-François Müller, Trissevgeni Stavrakou, and Vinh Son Nguyen
J. Phys. Chem. A 2014, 118 (38), 8625−8643. DOI: 10.1021/jp5033146
Puja Goyal, Hu-Jun Qian, Stephan Irle, Xiya Lu, Daniel J. Phys. Chem. B 2014, 118 (38), 11007−11027. Roston, Toshifumi Mori, Marcus Elstner, and Qiang Cui DOI: 10.1021/jp503372v J. Phys. Chem. C 2014, 118 (37), 21301−21315. DOI: 10.1021/jp500966u Jonathan Nafziger and Adam Wasserman J. Phys. Chem. A 2014, 118 (36), 7623−7639. DOI: 10.1021/jp504058s Jingjing Qiu and Wei David Wei J. Phys. Chem. C 2014, 118 (36), 20735−20749. DOI: 10.1021/jp5042553 James J. Spivey, Katla Sai Krishna, Challa S. S. R. Kumar, J. Phys. Chem. C 2014, 118 (35), 20043−20069. DOI: 10.1021/jp502556u Kerry M. Dooley, John C. Flake, Louis H. Haber, Ye Xu, Michael J. Janik, Susan B. Sinnot, Yu-Ting Cheng, Tao Liang, David S. Sholl, Thomas A. Manz, Ulrike Diebold, Gareth S. Parkinson, David A. Bruce, and Petra de Jongh Jeppe C. Dyre J. Phys. Chem. B 2014, 118 (34), 10007−10024. DOI: 10.1021/jp501852b Jordan C. Aquirre, Amy Ferreira, Hong Ding, Samson A. J. Phys. Chem. C 2014, 118 (34), 19505−19523. Jenekhe, Nikos Kopidakis, Mark Asta, Laurent Pilon, DOI: 10.1021/jp501047j Yves Rubin, Sarah H. Tolbert, Benjamin J. Schwartz, Bruce Dunn, and Vidvuds Ozolins Turgut M. Gür, Stacey F. Bent, and Fritz B. Prinz
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Table 3. continued Title
Author(s)
Citation
Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings Electrodeposited Nanophotonics
Steven E. Wheeler and Jacob W. G. Bloom
J. Phys. Chem. A 2014, 118 (32), 6133−6147. DOI: 10.1021/jp504415p
Reginald M. Penner
Understanding the Molecular Mechanism and Water-Exchange Rates around Aqueous Ions Using Molecular Simulations Protein Folding Dynamics in the Cell
Harsha V. R. Annapureddy and Liem X. Dang
J. Phys. Chem. C 2014, 118 (31), 17179−17192. DOI: 10.1021/jp5037074 J. Phys. Chem. B 2014, 118 (30), 8917−8927. DOI: 10.1021/jp502922c
Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage
Susan J. Altman, Behdad Aminzadeh, Matthew T. Balhoff, Philip C. Bennett, Steven L. Bryant, M. Bayani Cardenas, Kuldeep Chaudhary, Randall T. Cygan, Wen Deng, Thomas Dewers, David A. DiCarlo, Peter Eichhubl, Marc A. Hesse, Chun Huh, Edward N. Matteo, Yashar Mehmani, Craig M. Tenney, and Hongkyu Yoon Marcel D. Baer, John L. Fulton, Mahalingam J. Phys. Chem. B 2014, 118 (26), 7211−7220. Balasubramanian, Gregory K. Schenter, and Christopher DOI: 10.1021/jp501091h J. Mundy Fan Jiang, Chen-Yang Zhou, and Yun-Dong Wu J. Phys. Chem. B 2014, 118 (25), 6983−6998. DOI: 10.1021/jp5017449 Michael E. Coltrin, Andrew M. Armstrong, Igal Brener, J. Phys. Chem. C 2014, 118 (25), 13330−13345. Weng W. Chow, Mary H. Crawford, Arthur J. Fischer, DOI: 10.1021/jp501136j David F. Kelley, Daniel D. Koleske, Lincoln J. Lauhon, James E. Martin, May Nyman, E. Fred Schubert, Lauren E. Shea-Rohwer, Ganapathi Subramania, Jeffrey Y. Tsao, George T. Wang, Jonathan J. Wierer, Jr., and Jeremy B. Wright Hiroaki Tada, Qiliang Jin, Anna Iwaszuk, and Michael J. Phys. Chem. C 2014, 118 (23), 12077−12086. Nolan DOI: 10.1021/jp412312m
Persistent Ion Pairing in Aqueous Hydrochloric Acid
Residue-Specific Force Field Based on Protein Coil Library. RSFF1: Modification of OPLS-AA/L Energy Frontier Research Center for Solid-State Lighting Science: Exploring New Materials Architectures and Light Emission Phenomena
Molecular Scale Transition Metal Oxide Nanocluster Surface-Modified Titanium Dioxide as Solar-Activated Environmental Catalysts Molecular-Level Surface Structure From Nonlinear Vibrational Spectroscopy Combined with Simulations Nonequilibrium Atomic Limit for Transport and Optical Response of Molecular Junctions Recent Advancements in the Conversion Type Pnictide-Based Electrodes for Li-ion Batteries Primary Oxide Latent Storage and Spillover Enabling Electrocatalysts with Reversible Oxygen Electrode Properties and the Alterpolar Revertible (PEMFC versus WE) Cell Reaction Dynamics of Methane with F, O, Cl, and Br on ab Initio Potential Energy Surfaces Critical Issues in Localized Plasmon Sensing Tuning of Electrical Conductivity by Photoirradiation and Electric Fields Organolead Halide Perovskite: New Horizons in Solar Cell Research Photophysical Properties of the Excited States of Bacteriochlorophyll f in Solvents and in Chlorosomes Exploration of Nanostructured Functional Materials Based on Hybridization of Inorganic 2D Nanosheets ZnO Nano Reactor on Textiles and Polymers: Ex Situ and In Situ Synthesis, Application, and Characterization Aggregation of Insulin at the Interface Second-Order Many-Body Perturbation Theory: An Eternal Frontier Silicon Microwire Arrays for Solar Energy-Conversion Applications Thermodynamics of Block Copolymers with and without Salt
Irisbel Guzman and Martin Gruebele
Shaun A. Hall, Kailash C. Jena, Paul A. Covert, Sandra Roy, Travis G. Trudeau, and Dennis K. Hore Alexander J. White, Maicol A. Ochoa, and Michael Galperin L. Monconduit Milan M. Jaksic, Gianluigi A. Botton, Georgios D. Papakonstantinou, Feihong Nan, and Jelena M. Jaksic
J. Phys. Chem. B 2014, 118 (29), 8459−8470. DOI: 10.1021/jp501866v J. Phys. Chem. C 2014, 118 (28), 15103−15113. DOI: 10.1021/jp5006764
J. Phys. Chem. B 2014, 118 (21), 5617−5636. DOI: 10.1021/jp412742u J. Phys. Chem. C 2014, 118 (21), 11159−11173. DOI: 10.1021/jp500880j J. Phys. Chem. C 2014, 118 (20), 10531−10544. DOI: 10.1021/jp411918x J. Phys. Chem. C 2014, 118 (17), 8723−8746. DOI: 10.1021/jp412292w
J. Phys. Chem. A 2014, 118 (16), 2839−2864. DOI: 10.1021/jp500085h Ofer Kedem, Alexander Vaskevich, and Israel Rubinstein J. Phys. Chem. C 2014, 118 (16), 8227−8244. DOI: 10.1021/jp409954s Toshifumi Iimori and Nobuhiro Ohta J. Phys. Chem. C 2014, 118 (14), 7251−7260 DOI: 10.1021/jp4126123 Hui-Seon Kim, Sang Hyuk Im, and Nam-Gyu Park J. Phys. Chem. C 2014, 118 (11), 5615−5625. DOI: 10.1021/jp409025w Dariusz M. Niedzwiedzki, Gregory S. Orf, J. Phys. Chem. B 2014, 118 (9), 2295−2305. DOI: 10.1021/jp409495m Marcus Tank, Kajetan Vogl, Donald A. Bryant, and Robert E. Blankenship Jayavant L. Gunjakar, In Young Kim Jang, J. Phys. Chem. C 2014, 118 (8), 3847−3863. Mee Lee Yun, Kyung Jo, and Seong-Ju Hwang DOI: 10.1021/jp410626y Gábor Czakó and Joel M. Bowman
Majid Montazer and Morteza Maali Amiri
J. Phys. Chem. B 2014, 118 (6), 1453−1470. DOI: 10.1021/jp408532r
J. Phys. Chem. B 2014, 118 (5), 1181−1188. DOI: 10.1021/jp4101202 So Hirata, Xiao He, Matthew R. Hermes, and J. Phys. Chem. A 2014, 118 (4), 655−672. Soohaeng Y. Willow DOI: 10.1021/jp410587b Emily L. Warren, Harry A. Atwater, and Nathan S. Lewis J. Phys. Chem. C 2014, 118 (2), 747−759. DOI: 10.1021/jp406280x Alexander A. Teran and Nitash P. Balsara J. Phys. Chem. B 2014, 118 (1), 4−17. DOI: 10.1021/jp408079z Shanghao Li and Roger M. Leblanc
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dx.doi.org/10.1021/jp511798b | J. Phys. Chem. B 2015, 119, 1−4
Editorial for January 2015 for JPC A/B/C
B
offer authors a wider range of open access license options, such as Creative Commons licenses and provisions for immediate or 12month embargoed open access coupled with a new ACS Certified Deposit service. For complete details see http://acsopenaccess.org/. Special Issues. We published several special issues in 2014. Table 2 provides an overview, including festschrift issues for William C. Swope, James L. Skinner, Michael Grätzel, Franco Gianturco, Kenneth D. Jordan, A. W. Castleman, David R. Yarkony, and John C. Hemminger. We also published five symposium issues: an international meeting in Brazil (QUITEL 2012) concerned with energetics and dynamics of molecules, solids, and surfaces, a series of international symposia in China on theoretical and high performance computational chemistry (ICTPHCC), the Inter-American Photochemical Society (I-APS) international meeting on current topics in photochemistry, the 13th International Conference on the Physics and Chemistry of Ice (PCI-2014), and the Spectroscopy of Nano- and Biomaterials Symposium. Although we have limited capacity for special issues, we continue to seek suggestions for new special issues and virtual issues that highlight leading edge research in physical chemistry. Feature and Review Articles. A number of excellent Feature Articles were published in the journal during 2014 and are listed in Table 3. Authors or readers who have ideas for possible Feature or Review Articles are encouraged to contact one of us. JPC Lectureships. The JPC Lectureships are a new class of awards given to younger scientists from any country who have a record of publishing in JPC, are members of the Physical Division of the ACS, and have made major impacts on the field of physical chemistry in the research areas associated with each journal section. The 2014 JPC Lectureships were awarded to JPC A: Gary Douberly, University of Georgia JPC B: Munira Khalil, University of Washington JPC C: Stephan Hofmann, University of Cambridge Each award winner gave a terrific lecture at the Fall ACS National Meeting in San Francisco in a session that immediately preceded the joint JPC/Physical Division reception on Tuesday evening. We will be awarding the JPC Lectureships again in 2015 and look forward to the lectures, which will be given at the Fall ACS National Meeting in Boston. Social Media. We continue to maintain an active presence on Twitter (@JPhysChem) and Facebook (http://www.facebook. com/JournalofPhysicalChemistry). Zach Pozun has taken over the management of these sites; so if you have news of broad interest to the physical chemistry community, please contact him at [email protected]. We thank our JPC office staff in EvanstonDavine Henderson (Coordinating Editor), Julie Rossetti, Barbara Sydow, Vincent Rezaei, Felicia Miller, and Katherine Corliss for their tireless work to make the journal run smoothly and efficiently. We are also grateful to our Associate Coordinating Editors: Betsy Foran, LeeAnn Pannebaker (now replaced by Catie Carpenter in the Shea office), and Harriet Bradham for their
est wishes for the New Year to the authors, readers, and reviewers of The Journal of Physical Chemistry (JPC). We especially thank our authors and reviewers for their hard work in providing the best possible scientific content and reviews to the journal. Over 6000 papers were published in JPC A/B/C during 2014, and we have the highest number of citations of any of the journals in physical chemistry. Thanks to the submission of high-quality research articles to the journal, we have impact factors and average times to publication that are competitive with any comparable journal in the field. Our journal editors are both accomplished scientists and hard-working editors, so it is not surprising that there have been several transitions among our editors in 2014. Sharon HammesSchiffer (University of Illinois at Urbana−Champaign), who was Deputy Editor of JPC B and had served as a Senior Editor for both JPC and JPC Letters for a total of 13 years, has recently been appointed as Editor-in-Chief of Chemical Reviews. We congratulate Sharon on this important distinction and thank her for many years of service. Joan-Emma Shea (University of California, Santa Barbara) has been appointed as Deputy Editor of JPC B and will move over from JPC Letters. Benedetta Mennucci (University of Pisa), a new editor in early 2014, has moved from JPC A/B/C to JPC Letters. In addition to Benedetta, other new Senior Editors in 2014 include Franz Geiger (Northwestern University), Gemma Solomon (University of Copenhagen), and William Schneider (University of Notre Dame). Paul Wine (Georgia Institute of Technology) has retired after over 20 years as Senior Editor. We thank Paul for his two decades of outstanding service to the journal. Anne McCoy (The Ohio State University) continues in her role as Deputy Editor of JPC A, as does Cathy Murphy (University of Illinois at Urbana−Champaign) as Deputy Editor of JPC C. Having the Deputy Editors in place has led to greater processing efficiency and enhanced leadership. We are now able to provide authors with an additional level of personal attention when needed. Another important position is that of Managing Editor. Zachary Pozun joined us as Managing Editor in 2014, replacing Donna Minton. Previously, Zach had been a National Science Foundation Postdoctoral Fellow in the lab of JPC Senior Editor Kenneth Jordan. Editor’s Choice, Open Access. In January 2014 the ACS instituted an Editors’ Choice program whereby it posts one newly published paper each day as fully open access (http:// pubs.acs.org/editorschoice/). The editors of the ACS journals suggest papers for this distinction and a committee at the ACS makes final selections. Given the large number of ACS journals (>40), we are fortunate to have had a large number of JPC papers included in ACS Editors’ Choice (Table 1). Thus far, our selections include 7 in JPC A, 4 in JPC B, and 9 in JPC C. We strongly urge our readers to look at the papers that are posted daily in ACS Editors’ Choice. ACS Editors’ Choice is one of several activities that the ACS has initiated in 2014 as part of the Open Access Initiative. JPC has been a Gold Open Access journal for many years; however, new options have appeared as a result of ACS AuthorChoice. Effective January 1, 2014, ACS AuthorChoice was expanded to © 2015 American Chemical Society
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terrific work in managing the Deputy Editor offices for JPC A, B, and C, respectively. Barb, LeeAnn, and Katherine have recently moved on to new positions elsewhere; we wish them luck. We are looking forward to a productive 2015, and we hope that all of you, our authors and reviewers, have a prosperous and successful year!
Editorial
AUTHOR INFORMATION
Notes
Views expressed in this editorial are those of the authors and not necessarily the views of the ACS.
Anne B. McCoy, Deputy Editor Joan-Emma Shea, Deputy Editor Catherine J. Murphy, Deputy Editor George C. Schatz, Editor-in-Chief Table 1. ACS Editors’ Choice Articles Article Title Resonance IR: A Coherent Multidimensional Analogue of Resonance Raman Molecular-Scale Transition Metal Oxide Nanocluster Surface-Modified Titanium Dioxide as Solar-Activated Environmental Catalysts Single-Bundle Carbon-Nanotube-Bridged Nanorod Devices with Control of Gap Length Protein Folding Dynamics in the Cell Chemical and Hydrodynamic Mechanisms for LongTerm Geological Carbon Storage
Comprehensive Study of the CuF2 Conversion Reaction Mechanism in a Lithium Ion Battery Spectroscopic Evaluation of the Nucleation and Growth for Microwave-Assisted CdSe/CdS/ZnS Quantum Dot Synthesis Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings Challenges of and Insights into Acid-Catalyzed Transformations of Sugars
Local Optical Activity in Achiral Two-Dimensional Gold Nanostructures Dissociative Chemisorption of Methane on Ni and Pt Surfaces: Mode-Specific Chemistry and the Effects of Lattice Motion Demonstration of Multiple Logic Operations in a Heteroditopic Pyrene−Phenylimidazole−Terpyridine Conjugate Based on Optical Responses by Selective Anions and Cations: An Experimental and Theoretical Investigation Spectroscopy and Structure of the Simplest Actinide Bonds A Simple and Fast Approach for Predicting 1H and 13 C Chemical Shifts: Toward Chemical Shift-Guided Simulations of RNA Carbon Nitride Photocatalysts for Water Splitting: A Computational Perspective Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/SolventProbe Spectra Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology Frequency-Resolved Nanoscale Chemical Imaging of 4,4-Dimercaptostilbene on Silver The Minimum Amount of “Matrix” Needed for Matrix-Assisted Pulsed Laser Deposition of Biomolecules Accurate and Efficient Quantum Chemistry Calculations of Noncovalent Interactions in ManyBody Systems: The XSAPT Family of Methods
Author(s)
Citation
Erin S. Boyle, Nathan A. Neff-Mallon, Jonathan D. Handali, and John C. Wright Hiroaki Tada, Qiliang Jin, Anna Iwaszuk, and Michael Nolan
J. Phys. Chem. A 2014, 118 (17), 3112−3119. DOI: 10.1021/jp5018554 J. Phys. Chem. C 2014, 118 (23), 12077−12086. DOI: 10.1021/jp412312m
Gwang-Hyeon Nam, Jae-Hyeok Lee, Nur Elida M. Zahari, Najeeb Choolakadavil Khalid, Won-Seok Kang, and Jae-Ho Kim Irisbel Guzman and Martin Gruebele
J. Phys. Chem. C 2014, 118 (19), 10463−10471 DOI: 10.1021/jp501886e
Susan J. Altman, Behdad Aminzadeh, Matthew T. Balhoff, Philip C. Bennett, Steven L. Bryant, M. Bayani Cardenas, Kuldeep Chaudhary, Randall T. Cygan, Wen Deng, Thomas Dewers, David A. DiCarlo, Peter Eichhubl, Marc A. Hesse, Chun Huh, Edward N. Matteo, Yashar Mehmani, Craig M. Tenney, and Hongkyu Yoon Xiao Hua, Rosa Robert, Lin-Shu Du, Kamila M. Wiaderek, Michal Leskes, Karena W. Chapman, Peter J. Chupas, and Clare P. Gray Andrew Zane, Christie McCracken, Deborah A. Knight, W. James Waldman, and Prabir K. Dutta Steven E. Wheeler and Jacob W. G. Bloom Stavros Caratzoulas, Mark E. Davis, Raymond J. Gorte, Rajamani Gounder, Raul F. Lobo, Vladimiros Nikolakis, Stanley I. Sandler, Mark A. Snyder, Michael Tsapatsis, and Dionisios G. Vlachos Shun Hashiyada, Tetsuya Narushima, and Hiromi Okamoto Sven Nave, Ashwani K. Tiwari, and Bret Jackson
J. Phys. Chem. B 2014, 118 (29), 8459−8470. DOI: 10.1021/jp501866v J. Phys. Chem. C 2014, 118 (28), 15103−15113. DOI: 10.1021/jp5006764
J. Phys. Chem. C 2014, 118 (28), 15169−15184. DOI: 10.1021/jp503902z J. Phys. Chem. C 2014, 118 (38), 22258−22267. DOI: 10.1021/jp504755a J. Phys. Chem. A 2014, 118 (32), 6133−6147 DOI: 10.1021/jp504415p J. Phys. Chem. C 2014, 118 (40), 22815−22833. DOI: 10.1021/jp504358d J. Phys. Chem. C 2014, 118 (38), 22229−22233. DOI: 10.1021/jp507168a J. Phys. Chem. A 2014, 118 (41), 9615−9631. DOI: 10.1021/jp5063644
Srikanta Karmakar, Dinesh Maity, Sourav Mardanya, and Sujoy Baitalik
J. Phys. Chem. A 2014, 118 (40), 9397−9410. DOI: 10.1021/jp505507x
Michael C. Heaven, Beau J. Barker, and Ivan O. Antonov Aaron T. Frank, Sean M. Law, and Charles L. Brooks, III
J. Phys. Chem. A 2014, 118 (46), 10867−10881. DOI: 10.1021/jp507283n J. Phys. Chem. B 2014, 118 (42), 12168−12175. DOI: 10.1021/jp508342x
Cristina Butchosa, Pierre Guiglion, and Martijn A. Zwijnenburg Xiang Sun Branka, M. Ladanyi, and Richard M. Stratt
J. Phys. Chem. C 2014, 118 (43), 24833−24842. DOI: 10.1021/jp507372n J. Phys. Chem. B 2015. DOI: 10.1021/jp509021c
Orlando Acevedo
J. Phys. Chem. A 2014, 118 (50), 11653−11666. DOI: 10.1021/jp507967z J. Phys. Chem. C 2014, 118 (47), 27525−27530. DOI: 10.1021/jp509082c
Patrick Z. El-Khoury, Tyler W. Ueltschi, Amanda L. Mifflin, Dehong Hu, and Wayne P. Hess Marshall Tabetah, Andreea Matei, Catalin Constantinescu, Ninell P. Mortensen, Maria Dinescu, Jørgen Schou, and Leonid V. Zhigilei Ka Un Lao and John Michael Herbert
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J. Phys. Chem. B 2014, 118 (46), 13290−13299. DOI: 10.1021/jp508284n J. Phys. Chem. A 2015. DOI: 10.1021/jp5098603
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Table 2. Special Issues Special Issue
Journal Part
Date of Issue
William C. Swope Festschrift James L. Skinner Festschrift Michael Grätzel Festschrift Special Issue for Energy and Dynamics of Molecules, Solids and Surfaces − QUITEL 2012 Franco Gianturco Festschrift Kenneth D. Jordan Festschrift A. W. Castleman, Jr. Festschrift Special Issue for International Conference on Theoretical and High Performance Computational Chemistry Symposium Current Topics in Photochemistry Physics and Chemistry of Ice 2014 Spectroscopy of Nanoand Biomaterials Symposium David Yarkony Festschrift John C. Hemminger Festschrift
JPC B JPC B JPC C JPC A JPC A JPC A JPC A JPC A JPC A JPC B JPC B JPC A JPC C
June 19, 2014 July 17, 2014 July 31, 2014 August 7, 2014 August 21, 2014 September 4, 2014 September 18, 2014 October 2, 2014 November 13, 2014 November 27, 2014 December 11, 2014 December 25, 2014 December 25, 2014
Table 3. Feature and Review Articles Title
Author(s)
Citation J. Phys. Chem. A 2014, 118 (50), 11653−11666. DOI: 10.1021/jp507967z J. Phys. Chem. A 2014, 118 (49), 11433−11450. DOI: 10.1021/jp505498t
Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology Polyatomic Molecules under Intense Laser Irradiation
Orlando Acevedo
Molecular Insights in the Structure and Layered Assembly of Polyelectrolytes at the Oil/Water Interface Spectroscopy and Structure of the Simplest Actinide Bonds
J. Phys. Chem. C 2014, 118 (49), 28331−28343. DOI: 10.1021/jp5068022 Michael C. Heaven, Beau J. Barker, and Ivan O. Antonov J. Phys. Chem. A 2014, 118 (46), 10867−10881. DOI: 10.1021/jp507283n Michael J. Saxton J. Phys. Chem. B 2014, 118 (45), 12805−12817. DOI: 10.1021/jp5059885 Peng Zhang J. Phys. Chem. C 2014, 118 (44), 25291−25299. DOI: 10.1021/jp507739u Dong Yang, Wuilan Chen, and Jianhua Hu J. Phys. Chem. B 2014, 118 (43), 12311−12317. DOI: 10.1021/jp507763a Jeffrey A. Herron, Peter Ferrin, and Manos Maavrikakis J. Phys. Chem. C 2014, 118 (42), 24199−24211. DOI: 10.1021/jp505919x
Wanted: Scalable Tracers for Diffusion Measurements X-ray Spectroscopy of Gold−Thiolate Nanoclusters Design of Controlled Drug Delivery System Based on Disulfide Cleavage Trigger First-Principles Mechanistic Analysis of Dimethyl Ether Electro-Oxidation on Monometallic Single-Crystal Surfaces Dissociative Chemisorption of Methane on Ni and Pt Surfaces: Mode-Selective Chemistry and the Effects of Lattice Motion Dynamics of Chlorine Atom Reactions with Hydrocarbons: Insights from Imaging the Radical Product in Crossed Beams Challenges of and Insights into Acid-Catalyzed Transformations of Sugars
Collective Excitations and Thermodynamics of Disordered State: New Insights into an Old Problem Hydroxyl Radical Recycling in Isoprene Oxidation Driven by Hydrogen Bonding and Hydrogen Tunneling: the Upgraded LIM1 Mechanism Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models Nanostructuring Materials for Solar-to-Hydrogen Conversion Density-Based Partitioning Methods for Ground-State Molecular Calculations Surface Plasmon-Mediated Photothermal Chemistry Synthesis, Characterization, and Computation of Catalysts at the Center for Atomic-Level Catalyst Design
Hidden Scale Invariance in Condensed Matter Panoramic View of Electrochemical Pseudocapacitor and Organic Solar Cell Research in Molecularly Engineered Energy Materials (MEEM)
Arkaprabha Konar, Yinan Shu, Vadim V. Lozovoy, James E. Jackson, Benjamin G. Levine, and Marcos Dantus Ellen Jean Robertson and Geraldine L. Richmond
Sven Naves, Ashwani K. Tiwari, and Bret Jackson
J. Phys. Chem. A 2014, 118 (41), 9615−9631. DOI: 10.1021/jp5063644
Baptiste Joalland, Yuanyuan Shi, Armando, D. Estillore, J. Phys. Chem. A 2014, 118 (40), 9281−9295. DOI: 10.1021/jp504804n Alexander Kamasah, Alexander M. Mebel, and Arthur G. Suits Stavros Caratzoulas, Mark E. Davis, Raymond J. Gorte, J. Phys. Chem. C 2014, 118 (40), 22815−22833. Rajamani Gounder, Raul F. Lobo, Vladimiros Nikolakis, DOI: 10.1021/jp504358d Stanley I. Sandler, Mark A. Snyder, Michael Tsapatsis, and Dionisios G. Vlachos V. V. Brazhkin and K. Trachenko J. Phys. Chem. B 2014, 118 (39), 11417−11427. DOI: 10.1021/jp503647s Jozef Peeters, Jean-François Müller, Trissevgeni Stavrakou, and Vinh Son Nguyen
J. Phys. Chem. A 2014, 118 (38), 8625−8643. DOI: 10.1021/jp5033146
Puja Goyal, Hu-Jun Qian, Stephan Irle, Xiya Lu, Daniel J. Phys. Chem. B 2014, 118 (38), 11007−11027. Roston, Toshifumi Mori, Marcus Elstner, and Qiang Cui DOI: 10.1021/jp503372v J. Phys. Chem. C 2014, 118 (37), 21301−21315. DOI: 10.1021/jp500966u Jonathan Nafziger and Adam Wasserman J. Phys. Chem. A 2014, 118 (36), 7623−7639. DOI: 10.1021/jp504058s Jingjing Qiu and Wei David Wei J. Phys. Chem. C 2014, 118 (36), 20735−20749. DOI: 10.1021/jp5042553 James J. Spivey, Katla Sai Krishna, Challa S. S. R. Kumar, J. Phys. Chem. C 2014, 118 (35), 20043−20069. DOI: 10.1021/jp502556u Kerry M. Dooley, John C. Flake, Louis H. Haber, Ye Xu, Michael J. Janik, Susan B. Sinnot, Yu-Ting Cheng, Tao Liang, David S. Sholl, Thomas A. Manz, Ulrike Diebold, Gareth S. Parkinson, David A. Bruce, and Petra de Jongh Jeppe C. Dyre J. Phys. Chem. B 2014, 118 (34), 10007−10024. DOI: 10.1021/jp501852b Jordan C. Aquirre, Amy Ferreira, Hong Ding, Samson A. J. Phys. Chem. C 2014, 118 (34), 19505−19523. Jenekhe, Nikos Kopidakis, Mark Asta, Laurent Pilon, DOI: 10.1021/jp501047j Yves Rubin, Sarah H. Tolbert, Benjamin J. Schwartz, Bruce Dunn, and Vidvuds Ozolins Turgut M. Gür, Stacey F. Bent, and Fritz B. Prinz
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Table 3. continued Title
Author(s)
Citation
Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings Electrodeposited Nanophotonics
Steven E. Wheeler and Jacob W. G. Bloom
J. Phys. Chem. A 2014, 118 (32), 6133−6147. DOI: 10.1021/jp504415p
Reginald M. Penner
Understanding the Molecular Mechanism and Water-Exchange Rates around Aqueous Ions Using Molecular Simulations Protein Folding Dynamics in the Cell
Harsha V. R. Annapureddy and Liem X. Dang
J. Phys. Chem. C 2014, 118 (31), 17179−17192. DOI: 10.1021/jp5037074 J. Phys. Chem. B 2014, 118 (30), 8917−8927. DOI: 10.1021/jp502922c
Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage
Susan J. Altman, Behdad Aminzadeh, Matthew T. Balhoff, Philip C. Bennett, Steven L. Bryant, M. Bayani Cardenas, Kuldeep Chaudhary, Randall T. Cygan, Wen Deng, Thomas Dewers, David A. DiCarlo, Peter Eichhubl, Marc A. Hesse, Chun Huh, Edward N. Matteo, Yashar Mehmani, Craig M. Tenney, and Hongkyu Yoon Marcel D. Baer, John L. Fulton, Mahalingam J. Phys. Chem. B 2014, 118 (26), 7211−7220. Balasubramanian, Gregory K. Schenter, and Christopher DOI: 10.1021/jp501091h J. Mundy Fan Jiang, Chen-Yang Zhou, and Yun-Dong Wu J. Phys. Chem. B 2014, 118 (25), 6983−6998. DOI: 10.1021/jp5017449 Michael E. Coltrin, Andrew M. Armstrong, Igal Brener, J. Phys. Chem. C 2014, 118 (25), 13330−13345. Weng W. Chow, Mary H. Crawford, Arthur J. Fischer, DOI: 10.1021/jp501136j David F. Kelley, Daniel D. Koleske, Lincoln J. Lauhon, James E. Martin, May Nyman, E. Fred Schubert, Lauren E. Shea-Rohwer, Ganapathi Subramania, Jeffrey Y. Tsao, George T. Wang, Jonathan J. Wierer, Jr., and Jeremy B. Wright Hiroaki Tada, Qiliang Jin, Anna Iwaszuk, and Michael J. Phys. Chem. C 2014, 118 (23), 12077−12086. Nolan DOI: 10.1021/jp412312m
Persistent Ion Pairing in Aqueous Hydrochloric Acid
Residue-Specific Force Field Based on Protein Coil Library. RSFF1: Modification of OPLS-AA/L Energy Frontier Research Center for Solid-State Lighting Science: Exploring New Materials Architectures and Light Emission Phenomena
Molecular Scale Transition Metal Oxide Nanocluster Surface-Modified Titanium Dioxide as Solar-Activated Environmental Catalysts Molecular-Level Surface Structure From Nonlinear Vibrational Spectroscopy Combined with Simulations Nonequilibrium Atomic Limit for Transport and Optical Response of Molecular Junctions Recent Advancements in the Conversion Type Pnictide-Based Electrodes for Li-ion Batteries Primary Oxide Latent Storage and Spillover Enabling Electrocatalysts with Reversible Oxygen Electrode Properties and the Alterpolar Revertible (PEMFC versus WE) Cell Reaction Dynamics of Methane with F, O, Cl, and Br on ab Initio Potential Energy Surfaces Critical Issues in Localized Plasmon Sensing Tuning of Electrical Conductivity by Photoirradiation and Electric Fields Organolead Halide Perovskite: New Horizons in Solar Cell Research Photophysical Properties of the Excited States of Bacteriochlorophyll f in Solvents and in Chlorosomes Exploration of Nanostructured Functional Materials Based on Hybridization of Inorganic 2D Nanosheets ZnO Nano Reactor on Textiles and Polymers: Ex Situ and In Situ Synthesis, Application, and Characterization Aggregation of Insulin at the Interface Second-Order Many-Body Perturbation Theory: An Eternal Frontier Silicon Microwire Arrays for Solar Energy-Conversion Applications Thermodynamics of Block Copolymers with and without Salt
Irisbel Guzman and Martin Gruebele
Shaun A. Hall, Kailash C. Jena, Paul A. Covert, Sandra Roy, Travis G. Trudeau, and Dennis K. Hore Alexander J. White, Maicol A. Ochoa, and Michael Galperin L. Monconduit Milan M. Jaksic, Gianluigi A. Botton, Georgios D. Papakonstantinou, Feihong Nan, and Jelena M. Jaksic
J. Phys. Chem. B 2014, 118 (29), 8459−8470. DOI: 10.1021/jp501866v J. Phys. Chem. C 2014, 118 (28), 15103−15113. DOI: 10.1021/jp5006764
J. Phys. Chem. B 2014, 118 (21), 5617−5636. DOI: 10.1021/jp412742u J. Phys. Chem. C 2014, 118 (21), 11159−11173. DOI: 10.1021/jp500880j J. Phys. Chem. C 2014, 118 (20), 10531−10544. DOI: 10.1021/jp411918x J. Phys. Chem. C 2014, 118 (17), 8723−8746. DOI: 10.1021/jp412292w
J. Phys. Chem. A 2014, 118 (16), 2839−2864. DOI: 10.1021/jp500085h Ofer Kedem, Alexander Vaskevich, and Israel Rubinstein J. Phys. Chem. C 2014, 118 (16), 8227−8244. DOI: 10.1021/jp409954s Toshifumi Iimori and Nobuhiro Ohta J. Phys. Chem. C 2014, 118 (14), 7251−7260 DOI: 10.1021/jp4126123 Hui-Seon Kim, Sang Hyuk Im, and Nam-Gyu Park J. Phys. Chem. C 2014, 118 (11), 5615−5625. DOI: 10.1021/jp409025w Dariusz M. Niedzwiedzki, Gregory S. Orf, J. Phys. Chem. B 2014, 118 (9), 2295−2305. DOI: 10.1021/jp409495m Marcus Tank, Kajetan Vogl, Donald A. Bryant, and Robert E. Blankenship Jayavant L. Gunjakar, In Young Kim Jang, J. Phys. Chem. C 2014, 118 (8), 3847−3863. Mee Lee Yun, Kyung Jo, and Seong-Ju Hwang DOI: 10.1021/jp410626y Gábor Czakó and Joel M. Bowman
Majid Montazer and Morteza Maali Amiri
J. Phys. Chem. B 2014, 118 (6), 1453−1470. DOI: 10.1021/jp408532r
J. Phys. Chem. B 2014, 118 (5), 1181−1188. DOI: 10.1021/jp4101202 So Hirata, Xiao He, Matthew R. Hermes, and J. Phys. Chem. A 2014, 118 (4), 655−672. Soohaeng Y. Willow DOI: 10.1021/jp410587b Emily L. Warren, Harry A. Atwater, and Nathan S. Lewis J. Phys. Chem. C 2014, 118 (2), 747−759. DOI: 10.1021/jp406280x Alexander A. Teran and Nitash P. Balsara J. Phys. Chem. B 2014, 118 (1), 4−17. DOI: 10.1021/jp408079z Shanghao Li and Roger M. Leblanc
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