Discover the Most-Read Physical Chemistry Articles of May 2017

What were chemists reading in May 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 May 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 May 2017 Chemistry Research:

Analytical Chemistry | Applied Chemistry | Biological Chemistry | Materials Science & Engineering | Multidisciplinary Chemistry | Organic/Inorganic Chemistry

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ACS Energy Letters

Beyond Colloidal Cesium Lead Halide Perovskite Nanocrystals: Analogous Metal Halides and Doping
Open access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (5), pp 1089–1098
DOI: 10.1021/acsenergylett.7b00191

Recombination in Perovskite Solar Cells: Significance of Grain Boundaries, Interface Traps, and Defect Ions
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (5), pp 1214–1222
DOI: 10.1021/acsenergylett.7b00236

Semiconductor Nanostructures for Energy Conversion
ACS Energy Lett., 2017, 2 (5), pp 1128–1129
DOI: 10.1021/acsenergylett.7b00329

B-Site Metal Cation Exchange in Halide Perovskites
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (5), pp 1190–1196
DOI: 10.1021/acsenergylett.7b00290

Doping Mn2+ in Lead Halide Perovskite Nanocrystals: Successes and Challenges
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (5), pp 1014–1021
DOI: 10.1021/acsenergylett.7b00177

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ACS Photonics

Color-Selective and Versatile Light Steering with up-Scalable Subwavelength Planar Optics
ACS Photonics, 2017, 4 (5), pp 1060–1066
DOI: 10.1021/acsphotonics.7b00232

Transparent Perfect Mirror
ACS Photonics, 2017, 4 (5), pp 1026–1032
DOI: 10.1021/acsphotonics.7b00052

Hot Carrier Generation and Extraction of Plasmonic Alloy Nanoparticles
Open access through ACS AuthorChoice
ACS Photonics, 2017, 4 (5), pp 1146–1152
DOI: 10.1021/acsphotonics.6b01048

Plasmonic Breathing and Edge Modes in Aluminum Nanotriangles
ACS Photonics, 2017, 4 (5), pp 1257–1263
DOI: 10.1021/acsphotonics.7b00204

Quantum Optics Model of Surface-Enhanced Raman Spectroscopy for Arbitrarily Shaped Plasmonic Resonators
ACS Photonics, 2017, 4 (5), pp 1245–1256
DOI: 10.1021/acsphotonics.7b00157

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Energy & Fuels

Application of Water in Hydrothermal Conditions for Upgrading Heavy Oils: A Review
Energy Fuels, 2017, 31 (5), pp 4571–4587
DOI: 10.1021/acs.energyfuels.7b00291

Effect of Reaction Temperature on the Chemical Looping Combustion of Coal with CuFe2O4 Combined Oxygen Carrier
Energy Fuels, 2017, 31 (5), pp 5233–5245
DOI: 10.1021/acs.energyfuels.6b02525

Challenges and Opportunities of Coalbed Methane Development in China
Energy Fuels, 2017, 31 (5), pp 4588–4602
DOI: 10.1021/acs.energyfuels.7b00656

Thermodynamic and Structural Characterization of Bulk Organic Matter in Chinese Silurian Shale: Experimental and Molecular Modeling Studies
Energy Fuels, 2017, 31 (5), pp 4851–4865
DOI: 10.1021/acs.energyfuels.7b00132

Biodiesel Production via Transesterification of Soybean Oil Catalyzed by Superhydrophobic Porous Poly(ionic liquid) Solid Base
Energy Fuels, 2017, 31 (5), pp 5203–5214
DOI: 10.1021/acs.energyfuels.7b00443

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Industrial & Engineering Chemistry Research

Protease-Sensitive Nanomaterials for Cancer Therapeutics and Imaging
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (20), pp 5761–5777
DOI: 10.1021/acs.iecr.7b00990

Bioinspired Smart Materials for Directional Liquid Transport
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (17), pp 4887–4897
DOI: 10.1021/acs.iecr.7b00583

The Role of Water in CO2 Capture by Amine
Ind. Eng. Chem. Res., 2017, 56 (21), pp 6337–6347
DOI: 10.1021/acs.iecr.7b00715

Controllable Preparation of Nanoscale Metal–Organic Frameworks by Ionic Liquid Microemulsions
Ind. Eng. Chem. Res., 2017, 56 (20), pp 5899–5905
DOI: 10.1021/acs.iecr.7b00694

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Journal of Chemical & Engineering Data

Approaches for Calculating Solvation Free Energies and Enthalpies Demonstrated with an Update of the FreeSolv Database
J. Chem. Eng. Data, 2017, 62 (5), pp 1559–1569
DOI: 10.1021/acs.jced.7b00104

Effect of Amino Functionality on the Uptake of Cationic Dye by Titanium-Based Metal Organic Frameworks
J. Chem. Eng. Data, 2017, 62 (5), pp 1615–1622
DOI: 10.1021/acs.jced.6b01012

Polylysine Functionalized Graphene Aerogel for the Enhanced Removal of Cr(VI) through Adsorption: Kinetic, Isotherm, and Thermodynamic Modeling of the Process
J. Chem. Eng. Data, 2017, 62 (5), pp 1732–1742
DOI: 10.1021/acs.jced.7b00188

Experimental Measurement and Modeling of Vapor–Liquid Equilibrium for the Ternary System Water + Acetonitrile + Ethylene Glycol
J. Chem. Eng. Data, 2017, 62 (5), pp 1725–1731
DOI: 10.1021/acs.jced.7b00178

Water Solubility at Saturation for CO2–CH4 Mixtures at 323.2 K and 9.000 MPa
J. Chem. Eng. Data, 2017, 62 (5), pp 1608–1614
DOI: 10.1021/acs.jced.6b00999

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Journal of Chemical Information and Modeling

Best Practices of Computer-Aided Drug Discovery: Lessons Learned from the Development of a Preclinical Candidate for Prostate Cancer with a New Mechanism of Action
J. Chem. Inf. Model., 2017, 57 (5), pp 1018–1028
DOI: 10.1021/acs.jcim.7b00137

An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands
J. Chem. Inf. Model., 2017, 57 (5), pp 1210–1217
DOI: 10.1021/acs.jcim.6b00772

Matched Molecular Series: Measuring SAR Similarity
J. Chem. Inf. Model., 2017, 57 (5), pp 1187–1196
DOI: 10.1021/acs.jcim.6b00709

Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay
J. Chem. Inf. Model., 2017, 57 (5), pp 1101–1111
DOI: 10.1021/acs.jcim.6b00672

Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?
J. Chem. Inf. Model., 2017, 57 (5), pp 1197–1209
DOI: 10.1021/acs.jcim.6b00769

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Journal of Chemical Theory and Computation

A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (5), pp 1989–2009
DOI: 10.1021/acs.jctc.7b00118

Suppressing Ionic Terms with Number-Counting Jastrow Factors in Real Space
Open access through ACS Editors’ Choice
J. Chem. Theory Comput., 2017, 13 (5), pp 2035–2042
DOI: 10.1021/acs.jctc.7b00158

Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?
J. Chem. Theory Comput., 2017, 13 (5), pp 2043–2052
DOI: 10.1021/acs.jctc.7b00176

Comparison of QM/MM Methods To Obtain Ligand-Binding Free Energies
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (5), pp 2245–2253
DOI: 10.1021/acs.jctc.6b01217

Critical Comparison of Biomembrane Force Fields: Protein–Lipid Interactions at the Membrane Interface
J. Chem. Theory Comput., 2017, 13 (5), pp 2310–2321
DOI: 10.1021/acs.jctc.7b00001

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The Journal of Physical Chemistry A

What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers
J. Phys. Chem. A, 2017, 121 (19), pp 3627–3628
DOI: 10.1021/acs.jpca.7b04302

Dispersion Interactions in Water Clusters
J. Phys. Chem. A, 2017, 121 (19), pp 3736–3745
DOI: 10.1021/acs.jpca.6b11403

Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds
J. Phys. Chem. A, 2017, 121 (20), pp 3929–3942
DOI: 10.1021/acs.jpca.7b00752

Controlling Excited State Single versus Double Proton Transfer for 2,2′-Bipyridyl-3,3′-diol: Solvent Effect
J. Phys. Chem. A, 2017, 121 (20), pp 4002–4008
DOI: 10.1021/acs.jpca.7b01404

Multiphase Photochemistry of Pyruvic Acid under Atmospheric Conditions
J. Phys. Chem. A, 2017, 121 (18), pp 3327–3339
DOI: 10.1021/acs.jpca.7b01107

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The Journal of Physical Chemistry B

What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers
J. Phys. Chem. B, 2017, 121 (19), pp 4947–4948
DOI: 10.1021/acs.jpcb.7b04301

Predicting a Drug’s Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
Open access through ACS AuthorChoice
J. Phys. Chem. B, 2017, 121 (20), pp 5228–5237
DOI: 10.1021/acs.jpcb.7b02914

Deficiencies in Molecular Dynamics Simulation-Based Prediction of Protein–DNA Binding Free Energy Landscapes
J. Phys. Chem. B, 2017, 121 (20), pp 5151–5161
DOI: 10.1021/acs.jpcb.6b12450

Hydrophobic Nanoparticles Modify the Thermal Release Behavior of Liposomes
J. Phys. Chem. B, 2017, 121 (19), pp 5040–5047
DOI: 10.1021/acs.jpcb.7b01702

Theory and Electrochemistry of Cytochrome c
J. Phys. Chem. B, 2017, 121 (19), pp 4958–4967
DOI: 10.1021/acs.jpcb.7b00917

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The Journal of Physical Chemistry C

What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers
J. Phys. Chem. C, 2017, 121 (19), pp 10265–10266
DOI: 10.1021/acs.jpcc.7b04300

Ethene to Graphene: Surface Catalyzed Chemical Pathways, Intermediates, and Assembly
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (17), pp 9413–9423
DOI: 10.1021/acs.jpcc.7b01999

Copper Cluster Size Effect in Methanol Synthesis from CO2
J. Phys. Chem. C, 2017, 121 (19), pp 10406–10412
DOI: 10.1021/acs.jpcc.7b01835

Modeling Singlet Fission in Rylene and Diketopyrrolopyrrole Derivatives: The Role of the Charge Transfer State in Superexchange and Excimer Formation
J. Phys. Chem. C, 2017, 121 (19), pp 10345–10350
DOI: 10.1021/acs.jpcc.7b02697

V-Shaped Hole-Transporting TPD Dimers Containing Tröger’s Base Core
J. Phys. Chem. C, 2017, 121 (19), pp 10267–10274
DOI: 10.1021/acs.jpcc.6b11880

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The Journal of Physical Chemistry Letters

Plasmon-Coupled Resonance Energy Transfer
J. Phys. Chem. Lett., 2017, 8 (10), pp 2357–2367
DOI: 10.1021/acs.jpclett.7b00526

Rashba Band Splitting in Organohalide Lead Perovskites: Bulk and Surface Effects
J. Phys. Chem. Lett., 2017, 8 (10), pp 2247–2252
DOI: 10.1021/acs.jpclett.7b00328

Size- and Wavelength-Dependent Two-Photon Absorption Cross-Section of CsPbBr3 Perovskite Quantum Dots
J. Phys. Chem. Lett., 2017, 8 (10), pp 2316–2321
DOI: 10.1021/acs.jpclett.7b00613

Importance of Solvation for the Accurate Prediction of Oxygen Reduction Activities of Pt-Based Electrocatalysts
J. Phys. Chem. Lett., 2017, 8 (10), pp 2243–2246
DOI: 10.1021/acs.jpclett.7b01018

Chemisorbed and Physisorbed Water at the TiO2/Water Interface
J. Phys. Chem. Lett., 2017, 8 (10), pp 2195–2199
DOI: 10.1021/acs.jpclett.7b00564

 

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