Discover the Most-Read Physical Chemistry Articles of August 2017

What were chemists reading in August of 2017? To find out, we’ve compiled lists of the five most-read chemistry articles that appeared in each physical chemistry ACS Publications journal in August 2017, including research, reviews, perspectives and editorial pieces. These lists were not chosen by the journals’ editors. The lists also don’t take other factors, such as citations, into account. This article should not be taken as a “best of” compilation, but rather as an interesting perspective on where the chemistry community allocated their attention recently. Don’t see your favorite paper on the list? Include it in the comments below.

Read More Great August 2017 Chemistry Research:
Analytical Chemistry | Applied Chemistry | Biological Chemistry | Materials Science & Engineering | Multidisciplinary Chemistry | Organic/Inorganic Chemistry

ACS Energy Letters

Are Metal Chalcogenides, Nitrides, and Phosphides Oxygen Evolution Catalysts or Bifunctional Catalysts?
ACS Energy Lett., 2017, 2 (8), pp 1937–1938
DOI: 10.1021/acsenergylett.7b00679

Ultralow Frequency Electrochemical–Mechanical Strain Energy Harvester Using 2D Black Phosphorus Nanosheets
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (8), pp 1797–1803
DOI: 10.1021/acsenergylett.7b00478

Perovskite Solar Cells—Towards Commercialization
ACS Energy Lett., 2017, 2 (8), pp 1749–1751
DOI: 10.1021/acsenergylett.7b00517

A Conversation with Al Bard
ACS Energy Lett., 2017, 2 (8), pp 1746–1748
DOI: 10.1021/acsenergylett.7b00566

Vapour-Deposited Cesium Lead Iodide Perovskites: Microsecond Charge Carrier Lifetimes and Enhanced Photovoltaic Performance
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (8), pp 1901–1908
DOI: 10.1021/acsenergylett.7b00591

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ACS Photonics

Enhancing Magnetic Dipole Emission by a Nano-Doughnut-Shaped Silicon Disk
ACS Photonics, 2017, 4 (8), pp 1893–1898
DOI: 10.1021/acsphotonics.7b00509

Silicon Nanostructures for Bright Field Full Color Prints
ACS Photonics, 2017, 4 (8), pp 1913–1919
DOI: 10.1021/acsphotonics.6b01021

Nanofabrication of Plasmonic Circuits Containing Single Photon Sources
ACS Photonics, 2017, 4 (8), pp 1879–1884
DOI: 10.1021/acsphotonics.7b00374

Multichannel Metasurface for Simultaneous Control of Holograms and Twisted Light Beams
ACS Photonics, 2017, 4 (8), pp 1906–1912
DOI: 10.1021/acsphotonics.7b00587

Microscopic Origin of Surface-Enhanced Circular Dichroism
ACS Photonics, 2017, 4 (8), pp 2047–2052
DOI: 10.1021/acsphotonics.7b00479

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Energy & Fuels

Zeolite Materials for Biomass Conversion to Biofuel
Energy Fuels, 2017, 31 (8), pp 7721–7733
DOI: 10.1021/acs.energyfuels.7b01057

Review on Surfactant Flooding: Phase Behavior, Retention, IFT, and Field Applications
Energy Fuels, 2017, 31 (8), pp 7701–7720
DOI: 10.1021/acs.energyfuels.7b00353

Nanofluid Enhanced Oil Recovery Using Hydrophobically Associative Zwitterionic Polymer-Coated Silica Nanoparticles
Energy Fuels, 2017, 31 (8), pp 7777–7782
DOI: 10.1021/acs.energyfuels.7b00455

Fe–Ni–MCM-41 Catalysts for Hydrogen-Rich Syngas Production from Waste Plastics by Pyrolysis–Catalytic Steam Reforming
Open access through ACS AuthorChoice
Energy Fuels, 2017, 31 (8), pp 8497–8504
DOI: 10.1021/acs.energyfuels.7b01368

Continuous Ozonolysis Process To Produce Non-CO Off-Gassing Wood Pellets
Energy Fuels, 2017, 31 (8), pp 8228–8234
DOI: 10.1021/acs.energyfuels.7b01093

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Industrial & Engineering Chemistry Research

Synthesis and Characterization of Bio-oil-Based Self-Curing Epoxy Resin
Ind. Eng. Chem. Res., 2017, 56 (33), pp 9389–9400
DOI: 10.1021/acs.iecr.7b02123

Virtual Special Issue: Invited Papers from the 252nd ACS National Meeting in Philadelphia
Ind. Eng. Chem. Res., 2017, 56 (31), pp 8787–8788
DOI: 10.1021/acs.iecr.7b02943

Probing Thiophenol Pollutant in Solutions and Cells with BODIPY-Based Fluorescent Probe
Ind. Eng. Chem. Res., 2017, 56 (33), pp 9303–9309
DOI: 10.1021/acs.iecr.7b02557

Layer-by-Layer Assembly of Hypophosphorous Acid-Modified Chitosan Based Coating for Flame-Retardant Polyester–Cotton Blends
Ind. Eng. Chem. Res., 2017, 56 (34), pp 9429–9436
DOI: 10.1021/acs.iecr.7b02303

Design and Control of a Heat Pump-Assisted Azeotropic Dividing Wall Column for EDA/Water Separation
Ind. Eng. Chem. Res., 2017, 56 (34), pp 9770–9777
DOI: 10.1021/acs.iecr.7b02466

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Journal of Chemical & Engineering Data

Guidelines for the Analysis of Vapor–Liquid Equilibrium Data
J. Chem. Eng. Data, 2017, 62 (8), pp 2231–2233
DOI: 10.1021/acs.jced.7b00582

Interfacial Tension and Related Properties of Ionic Liquids in CH4 and CO2 at Elevated Pressures: Experimental Data and Molecular Dynamics Simulation
J. Chem. Eng. Data, 2017, 62 (8), pp 2234–2243
DOI: 10.1021/acs.jced.6b00751

Molecular Dynamics Simulation for the Calibration of the OPLS Force Field Using DFT Derived Partial Charges for the Screening of Alkyl Phosphate Ligands by Studying Structure, Dynamics, and Thermodynamics
J. Chem. Eng. Data, 2017, 62 (8), pp 2280–2295
DOI: 10.1021/acs.jced.7b00096

Solubility of Carbon Dioxide in Aqueous Solutions of Three Secondary Amines: 2-(Butylamino)ethanol, 2-(Isopropylamino)ethanol, and 2-(Ethylamino)ethanol Secondary Alkanolamine Solutions
J. Chem. Eng. Data, 2017, 62 (8), pp 2428–2435
DOI: 10.1021/acs.jced.7b00364

Study of CO2 Absorption into Phase Change Solvents MAPA and DEEA
J. Chem. Eng. Data, 2017, 62 (8), pp 2261–2271
DOI: 10.1021/acs.jced.6b01038

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Journal of Chemical Information and Modeling

Is Multitask Deep Learning Practical for Pharma?
J. Chem. Inf. Model., 2017, 57 (8), pp 2068–2076
DOI: 10.1021/acs.jcim.7b00146

Conformation Generation: The State of the Art
J. Chem. Inf. Model., 2017, 57 (8), pp 1747–1756
DOI: 10.1021/acs.jcim.7b00221

Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach
J. Chem. Inf. Model., 2017, 57 (8), pp 1816–1831
DOI: 10.1021/acs.jcim.7b00249

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (8), pp 1832–1846
DOI: 10.1021/acs.jcim.7b00250

Characterizing Drug–Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches
J. Chem. Inf. Model., 2017, 57 (8), pp 1895–1906
DOI: 10.1021/acs.jcim.7b00075

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Journal of Chemical Theory and Computation

An Ab Initio Exciton Model Including Charge-Transfer Excited States
Open access through ACS ACS Editors’ Choice
J. Chem. Theory Comput., 2017, 13 (8), pp 3493–3504
DOI: 10.1021/acs.jctc.7b00171

Kinetics from Replica Exchange Molecular Dynamics Simulations
J. Chem. Theory Comput., 2017, 13 (8), pp 3927–3935
DOI: 10.1021/acs.jctc.7b00372

Marcus Theory of Ion-Pairing
J. Chem. Theory Comput., 2017, 13 (8), pp 3470–3477
DOI: 10.1021/acs.jctc.7b00332

Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution
J. Chem. Theory Comput., 2017, 13 (8), pp 3432–3441
DOI: 10.1021/acs.jctc.7b00314

Accurate DFT-D3 Calculations in a Small Basis Set
J. Chem. Theory Comput., 2017, 13 (8), pp 3575–3585
DOI: 10.1021/acs.jctc.7b00365

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The Journal of Physical Chemistry A

How Large is the Elephant in the Density Functional Theory Room?
Open access through ACS ACS Editors’ Choice
J. Phys. Chem. A, 2017, 121 (32), pp 6104–6107
DOI: 10.1021/acs.jpca.7b04760

Multireference Electronic Structures of Fe–Pyridine(diimine) Complexes over Multiple Oxidation States
J. Phys. Chem. A, 2017, 121 (31), pp 5932–5939
DOI: 10.1021/acs.jpca.7b06032

Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach
J. Phys. Chem. A, 2017, 121 (32), pp 6090–6103
DOI: 10.1021/acs.jpca.7b04752

A Combined Theoretical and Experimental Study of Sarin (GB) Decomposition at High Temperatures
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2017, 121 (33), pp 6200–6210
DOI: 10.1021/acs.jpca.7b04282

New Physical Insights: Magnetic Resonance Methods and Applications
J. Phys. Chem. A, 2017, 121 (33), pp 6199–6199
DOI: 10.1021/acs.jpca.7b07850

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The Journal of Physical Chemistry B

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations
Open access through ACS ACS Editors’ Choice
J. Phys. Chem. B, 2017, 121 (34), pp 8009–8025
DOI: 10.1021/acs.jpcb.7b03570

Kinetic Model for Two-Step Nucleation of Peptide Assembly
J. Phys. Chem. B, 2017, 121 (31), pp 7401–7411
DOI: 10.1021/acs.jpcb.7b03085

Limits on Natural Photosynthesis
J. Phys. Chem. B, 2017, 121 (30), pp 7229–7234
DOI: 10.1021/acs.jpcb.7b03024

Glucose and Mannose: A Link between Hydration and Sweetness
J. Phys. Chem. B, 2017, 121 (33), pp 7771–7776
DOI: 10.1021/acs.jpcb.7b03919

C–H···O Interaction in Methanol–Water Solution Revealed from Raman Spectroscopy and Theoretical Calculations
J. Phys. Chem. B, 2017, 121 (34), pp 8179–8187
DOI: 10.1021/acs.jpcb.7b06036

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The Journal of Physical Chemistry C

Doped Amorphous Ti Oxides To Deoptimize Oxygen Reduction Reaction Catalysis
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (31), pp 16825–16830
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
Open access through ACS Editors’ Choice
J. Phys. Chem. C, 2017, 121 (32), pp 17251–17262
DOI: 10.1021/acs.jpcc.7b04317

Solvent-Assisted Self-Assembly of CsPbBr3 Perovskite Nanocrystals into One-Dimensional Superlattice
J. Phys. Chem. C, 2017, 121 (33), pp 18186–18194
DOI: 10.1021/acs.jpcc.7b03939

Photophysics of an Asymmetric Donor–Acceptor–Donor′ TADF Molecule and Reinterpretation of Aggregation-Induced TADF Emission in These Materials
J. Phys. Chem. C, 2017, 121 (33), pp 17764–17772
DOI: 10.1021/acs.jpcc.7b06299

New Physical Insights for Manuscripts on Organic and Perovskite-based Photovoltaics (and Other Optoelectronic Devices)
J. Phys. Chem. C, 2017, 121 (33), pp 17559–17559
DOI: 10.1021/acs.jpcc.7b07675

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The Journal of Physical Chemistry Letters

Building Blocks for High Performance in Electrocatalytic CO2 Reduction: Materials, Optimization Strategies, and Device Engineering
Open access through ACS AuthorChoice
J. Phys. Chem. Lett., 2017, 8 (16), pp 3933–3944
DOI: 10.1021/acs.jpclett.7b01380

Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways
J. Phys. Chem. Lett., 2017, 8 (16), pp 3826–3833
DOI: 10.1021/acs.jpclett.7b01760

In the Limelight
J. Phys. Chem. Lett., 2017, 8 (15), pp 3718–3719
DOI: 10.1021/acs.jpclett.7b01914

Biexciton Resonances Reveal Exciton Localization in Stacked Perovskite Quantum Wells
J. Phys. Chem. Lett., 2017, 8 (16), pp 3895–3901
DOI: 10.1021/acs.jpclett.7b01621

Dynamic Disorder and Potential Fluctuation in Two-Dimensional Perovskite
J. Phys. Chem. Lett., 2017, 8 (16), pp 3875–3880
DOI: 10.1021/acs.jpclett.7b01501

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If you have comments or questions for the author of this post, please e-mail: Axial@acs.org.