Discover the Most-Read Physical Chemistry Articles of April 2018

There are lots of different ways to look at the reach of an article. You can look at citations, Altmetric Attention Scores, awards, and more. One way to consider the influence of an article is just by looking at how many people chose to read it. To that end, we’ve compiled lists of the five most-read chemistry articles that appeared in each ACS Publications journal in April 2018, including research, reviews, perspectives and editorial pieces. These lists were not chosen by the journal’s editors and should not be taken as a “best of” list, but as another perspective on where the chemistry community allocated their attention.

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Read more of April’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic

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ACS Earth and Space Chemistry

Water Interaction with Mineral Dust Aerosol: Particle Size and Hygroscopic Properties of Dust
ACS Earth Space Chem., 2018, 2 (4), pp 376–386
DOI: 10.1021/acsearthspacechem.7b00152

Optical Property Measurements and Single Particle Analysis of Secondary Organic Aerosol Produced from the Aqueous-Phase Reaction of Ammonium Sulfate with Methylglyoxal
ACS Earth Space Chem., 2018, 2 (4), pp 356–365
DOI: 10.1021/acsearthspacechem.8b00004

Relationship between Molecular Components and Reducing Capacities of Humic Substances
ACS Earth Space Chem., 2018, 2 (4), pp 330–339
DOI: 10.1021/acsearthspacechem.7b00155

Evaluation of the New Capture Vaporizer for Aerosol Mass Spectrometers (AMS): Elemental Composition and Source Apportionment of Organic Aerosols (OA)
ACS Earth Space Chem., 2018, 2 (4), pp 410–421
DOI: 10.1021/acsearthspacechem.8b00002

The Acetylene-Ammonia Co-crystal on Titan
ACS Earth Space Chem., 2018, 2 (4), pp 366–375
DOI: 10.1021/acsearthspacechem.7b00135

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ACS Energy Letters

Plasma Technology: An Emerging Technology for Energy Storage
Open access through ACS Editors’ Choice
ACS Energy Lett., 2018, 3 (4), pp 1013–1027
DOI: 10.1021/acsenergylett.8b00184

Impedance Spectroscopy Measurements in Perovskite Solar Cells: Device Stability and Noise Reduction
ACS Energy Lett., 2018, 3 (4), pp 1044–1048
DOI: 10.1021/acsenergylett.8b00465

Interstitial Mn2+-Driven High-Aspect-Ratio Grain Growth for Low-Trap-Density Microcrystalline Films for Record Efficiency CsPbI2Br Solar Cells
ACS Energy Lett., 2018, 3 (4), pp 970–978
DOI: 10.1021/acsenergylett.8b00270

Perovskite Solar Cells in the Public Domain as the Community Gears Up for Technical Advances
ACS Energy Lett., 2018, 3 (4), pp 890–891
DOI: 10.1021/acsenergylett.8b00403

Bifunctional 2D Superlattice Electrocatalysts of Layered Double Hydroxide–Transition Metal Dichalcogenide Active for Overall Water Splitting
ACS Energy Lett., 2018, 3 (4), pp 952–960
DOI: 10.1021/acsenergylett.8b00134

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ACS Photonics

DNA Origami Route for Nanophotonics
ACS Photonics, 2018, 5 (4), pp 1151–1163
DOI: 10.1021/acsphotonics.7b01580

Metal Nanoparticle Array as a Tunable Refractive Index Material over Broad Visible and Infrared Wavelengths
ACS Photonics, 2018, 5 (4), pp 1188–1195
DOI: 10.1021/acsphotonics.7b01497

Directional and Spectral Shaping of Light Emission with Mie-Resonant Silicon Nanoantenna Arrays
ACS Photonics, 2018, 5 (4), pp 1359–1364
DOI: 10.1021/acsphotonics.7b01375

Optical Trapping of Electrons in Graphene
ACS Photonics, 2018, 5 (4), pp 1171–1175
DOI: 10.1021/acsphotonics.7b01394

High-Efficiency All-Dielectric Huygens Metasurfaces from the Ultraviolet to the Infrared
ACS Photonics, 2018, 5 (4), pp 1351–1358
DOI: 10.1021/acsphotonics.7b01368

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Energy & Fuels

6th Sino-Australian Symposium on Advanced Coal and Biomass Utilisation Technologies
This article is part of the 6th Sino-Australian Symposium on Advanced Coal and Biomass Utilisation Technologies special issue.
Energy Fuels, 2018, 32 (4), pp 4065–4068
DOI: 10.1021/acs.energyfuels.8b00914

Metals and Other Elements in Biocrude from Fast and Isothermal Hydrothermal Liquefaction of Microalgae
Open access through ACS AuthorChoice
Energy Fuels, 2018, 32 (4), pp 4118–4126
DOI: 10.1021/acs.energyfuels.7b03144

Effect of Pressure on Ethane Dehydrogenation in MFI Zeolite Membrane Reactor
Energy Fuels, 2018, 32 (4), pp 4628–4637
DOI: 10.1021/acs.energyfuels.7b03442

Distinctive Hydrodynamics of a Micro Fluidized Bed and Its Application to Gas–Solid Reaction Analysis
Energy Fuels, 2018, 32 (4), pp 4096–4106
DOI: 10.1021/acs.energyfuels.7b03003

Compositional Effect of Gasoline on Fuel Economy and Emissions
Energy Fuels, 2018, 32 (4), pp 5072–5080
DOI: 10.1021/acs.energyfuels.8b00722

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Industrial & Engineering Chemistry Research

Conversion of Biomass and Its Derivatives to Levulinic Acid and Levulinate Esters via Ionic Liquids
Ind. Eng. Chem. Res., 2018, 57 (14), pp 4749–4766
DOI: 10.1021/acs.iecr.8b00273

Capture and Purification of Polyphenols Using Functionalized Hydrophobic Resins
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2018, 57 (15), pp 5359–5369
DOI: 10.1021/acs.iecr.7b05071

Double-Confined Sulfur Inside Compressed Nickel Foam and Pencil-Plating Graphite for Lithium–Sulfur Battery
Ind. Eng. Chem. Res., 2018, 57 (14), pp 4880–4886
DOI: 10.1021/acs.iecr.7b04338

Methane Adsorption and Separation in Slipped and Functionalized Covalent Organic Frameworks
Ind. Eng. Chem. Res., 2018, 57 (14), pp 4767–4778
DOI: 10.1021/acs.iecr.7b05031

Controllable Synthesis of Styrene-divinylbenzene Adsorption Resins and the Effect of Textural Properties on Removal Performance of Fermentation Inhibitors from Rice Straw Hydrolysate
Ind. Eng. Chem. Res., 2018, 57 (14), pp 5119–5127
DOI: 10.1021/acs.iecr.8b00545

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Journal of Chemical & Engineering Data

Festschrift Honoring Cor J. Peters
This article is part of the In Honor of Cor Peters special issue.
J. Chem. Eng. Data, 2018, 63 (4), pp 859–859
DOI: 10.1021/acs.jced.8b00149

Solubility of Solids in Sub- and Supercritical Fluids: A Review 2010–2017
This article is part of the In Honor of Cor Peters special issue.
J. Chem. Eng. Data, 2018, 63 (4), pp 860–884
DOI: 10.1021/acs.jced.7b00778

Molecular Simulation of Vapor–Liquid Equilibria Using the Wolf Method for Electrostatic Interactions
Open access through ACS AuthorChoice
J. Chem. Eng. Data, 2018, 63 (4), pp 1096–1102
DOI: 10.1021/acs.jced.7b00839

Modified Trouton’s Rule for the Estimation, Correlation, and Evaluation of Pure-Component Vapor Pressure
This article is part of the In Honor of Cor Peters special issue.
J. Chem. Eng. Data, 2018, 63 (4), pp 943–953
DOI: 10.1021/acs.jced.7b00767

Carbon Dioxide Solubilities in Decanoic Acid-Based Hydrophobic Deep Eutectic Solvents
This article is part of the In Honor of Cor Peters special issue.
J. Chem. Eng. Data, 2018, 63 (4), pp 913–919
DOI: 10.1021/acs.jced.7b00534

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Journal of Chemical Information and Modeling

ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics
J. Chem. Inf. Model., 2018, 58 (4), pp 747–760
DOI: 10.1021/acs.jcim.7b00618

Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein–Protein Interaction Interfaces
J. Chem. Inf. Model., 2018, 58 (4), pp 784–793
DOI: 10.1021/acs.jcim.7b00487

Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode
J. Chem. Inf. Model., 2018, 58 (4), pp 794–815
DOI: 10.1021/acs.jcim.7b00455

Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation
J. Chem. Inf. Model., 2018, 58 (4), pp 848–858
DOI: 10.1021/acs.jcim.8b00043

Virtual Screening of Novel and Selective Inhibitors of Protein Tyrosine Phosphatase 1B over T-Cell Protein Tyrosine Phosphatase Using a Bidentate Inhibition Strategy
J. Chem. Inf. Model., 2018, 58 (4), pp 837–847
DOI: 10.1021/acs.jcim.8b00040

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Journal of Chemical Theory and Computation

How Accurate Is Density Functional Theory at Predicting Dipole Moments? An Assessment Using a New Database of 200 Benchmark Values
J. Chem. Theory Comput., 2018, 14 (4), pp 1969–1981
DOI: 10.1021/acs.jctc.7b01252

Transferable Neural Networks for Enhanced Sampling of Protein Dynamics
J. Chem. Theory Comput., 2018, 14 (4), pp 1887–1894
DOI: 10.1021/acs.jctc.8b00025

SLTCAP: A Simple Method for Calculating the Number of Ions Needed for MD Simulation
J. Chem. Theory Comput., 2018, 14 (4), pp 1823–1827
DOI: 10.1021/acs.jctc.7b01254

Quasi-Diabatic Representation for Nonadiabatic Dynamics Propagation
J. Chem. Theory Comput., 2018, 14 (4), pp 1828–1840
DOI: 10.1021/acs.jctc.7b01178

T3NS: Three-Legged Tree Tensor Network States
Open access through ACS Editors’ Choice
J. Chem. Theory Comput., 2018, 14 (4), pp 2026–2033
DOI: 10.1021/acs.jctc.8b00098

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The Journal of Physical Chemistry A

Melting of the Au20 Gold Cluster: Does Charge Matter?
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2018, 122 (16), pp 4092–4098
DOI: 10.1021/acs.jpca.7b12522

Photoinduced Electron Transfer in a BODIPY-ortho-Carborane Dyad Investigated by Time-Resolved Transient Absorption Spectroscopy
J. Phys. Chem. A, 2018, 122 (13), pp 3391–3397
DOI: 10.1021/acs.jpca.8b01539

Comment on “Insights into the Nature of the Chemical Bonding in Thiophene-2-thiol from X-ray Absorption Spectroscopy”
J. Phys. Chem. A, 2018, 122 (14), pp 3711–3712
DOI: 10.1021/acs.jpca.8b00420

Rates of Molecular Vibrational Energy Transfer in Organic Solutions
Published as part of The Journal of Physical Chemistry virtual special issue “Manuel Yáñez and Otilia Mó Festschrift”.
J. Phys. Chem. A, 2018, 122 (14), pp 3535–3540
DOI: 10.1021/acs.jpca.7b12563

Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol
J. Phys. Chem. A, 2018, 122 (14), pp 3547–3555
DOI: 10.1021/acs.jpca.8b00836

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The Journal of Physical Chemistry B

Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity
Open access through ACS Editors’ Choice
J. Phys. Chem. B, 2018, 122 (14), pp 3667–3679
DOI: 10.1021/acs.jpcb.7b10574

Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics
Open access through ACS AuthorChoice
J. Phys. Chem. B, 2018, 122 (13), pp 3230–3241
DOI: 10.1021/acs.jpcb.7b08707

Tribute to Benjamin Widom
This article is part of the Benjamin Widom Festschrift special issue.
J. Phys. Chem. B, 2018, 122 (13), pp 3203–3205
DOI: 10.1021/acs.jpcb.8b00129

Influence of Ion Solvation on the Properties of Electrolyte Solutions
J. Phys. Chem. B, 2018, 122 (14), pp 4029–4034
DOI: 10.1021/acs.jpcb.8b00518

One Peptide Reveals the Two Faces of α-Helix Unfolding–Folding Dynamics
J. Phys. Chem. B, 2018, 122 (14), pp 3790–3800
DOI: 10.1021/acs.jpcb.8b00229

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The Journal of Physical Chemistry C

Effects of Ortho-Phenyl Substitution on the rISC Rate of D–A Type TADF Molecules
J. Phys. Chem. C, 2018, 122 (14), pp 7627–7634
DOI: 10.1021/acs.jpcc.8b01579

High-Open-Circuit-Voltage Solar Cells Based on Bright Mixed-Halide CsPbBrI2 Perovskite Nanocrystals Synthesized under Ambient Air Conditions
J. Phys. Chem. C, 2018, 122 (14), pp 7621–7626
DOI: 10.1021/acs.jpcc.8b01264

First-Principles Screening of All-Inorganic Lead-Free ABX3 Perovskites
J. Phys. Chem. C, 2018, 122 (14), pp 7670–7675
DOI: 10.1021/acs.jpcc.8b02448

Computational Study of Structural and Electronic Properties of Lead-Free CsMI3 Perovskites (M = Ge, Sn, Pb, Mg, Ca, Sr, and Ba)
J. Phys. Chem. C, 2018, 122 (14), pp 7838–7848
DOI: 10.1021/acs.jpcc.8b00226

DFT Study on Sulfur-Doped g-C3N4 Nanosheets as a Photocatalyst for CO2 Reduction Reaction
J. Phys. Chem. C, 2018, 122 (14), pp 7712–7719
DOI: 10.1021/acs.jpcc.8b00098

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The Journal of Physical Chemistry Letters

Lead-Free Perovskite Nanocrystals for Light-Emitting Devices
J. Phys. Chem. Lett., 2018, 9 (7), pp 1573–1583
DOI: 10.1021/acs.jpclett.8b00301

Coherence from Light Harvesting to Chemistry
J. Phys. Chem. Lett., 2018, 9 (7), pp 1568–1572
DOI: 10.1021/acs.jpclett.8b00734

Ultrafast Charge Transfer in Perovskite Nanowire/2D Transition Metal Dichalcogenide Heterostructures
J. Phys. Chem. Lett., 2018, 9 (7), pp 1655–1662
DOI: 10.1021/acs.jpclett.8b00260

Shining Light on New-Generation Two-Dimensional Materials from a Computational Viewpoint
J. Phys. Chem. Lett., 2018, 9 (7), pp 1605–1612
DOI: 10.1021/acs.jpclett.8b00044

Realizing Highly Efficient Solution-Processed Homojunction-Like Sky-Blue OLEDs by Using Thermally Activated Delayed Fluorescent Emitters Featuring an Aggregation-Induced Emission Property
J. Phys. Chem. Lett., 2018, 9 (7), pp 1547–1553
DOI: 10.1021/acs.jpclett.8b00344

 

 

 

 

 

 

 

 

 

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