Discover the Most-Read Physical Chemistry Articles of May 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 May 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 May’s most-read articles: Analytical | Applied | Biological | Materials Science & Engineering | Multidisciplinary | Organic/Inorganic

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Direct Measurement of Elemental Mercury Using Multidimensional Gas Chromatography with Microwave-Induced Helium Plasma Atomic Emission Spectroscopy
ACS Earth Space Chem., 2018, 2 (5), pp 471–478
DOI: 10.1021/acsearthspacechem.8b00008

Geochemical Evidence for Rare-Earth Element Mobilization during Kaolin Diagenesis
ACS Earth Space Chem., 2018, 2 (5), pp 506–520
DOI: 10.1021/acsearthspacechem.7b00124

Hg-Stable Isotope Variations in Marine Top Predators of the Western Arctic Ocean
This article is part of the Global Cycling of Mercury special issue.
ACS Earth Space Chem., 2018, 2 (5), pp 479–490
DOI: 10.1021/acsearthspacechem.8b00017

Interaction of Elemental Mercury with a Diverse Series of π-Organic Substrates Probed by Computational Methods: Is Mercury Fixation Possible?
This article is part of the Global Cycling of Mercury special issue.
ACS Earth Space Chem., 2018, 2 (5), pp 451–461
DOI: 10.1021/acsearthspacechem.7b00122

Isotopic Characterization of Mercury in Natural Gas via Analysis of Mercury Removal Unit Catalysts
ACS Earth Space Chem., 2018, 2 (5), pp 462–470
DOI: 10.1021/acsearthspacechem.7b00118

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ACS Energy Letters

Designing a Lower Band Gap Bulk Ferroelectric Material with a Sizable Polarization at Room Temperature
ACS Energy Lett., 2018, 3 (5), pp 1176–1182
DOI: 10.1021/acsenergylett.8b00492

Directions for True Development of Lithium Oxygen Batteries
ACS Energy Lett., 2018, 3 (5), pp 1102–1102
DOI: 10.1021/acsenergylett.8b00532

Dynamic Interaction between Methylammonium Lead Iodide and TiO2 Nanocrystals Leads to Enhanced Photocatalytic H2 Evolution from HI Splitting
ACS Energy Lett., 2018, 3 (5), pp 1159–1164
DOI: 10.1021/acsenergylett.8b00488

Encapsulation of Iron Nitride by Fe–N–C Shell Enabling Highly Efficient Electroreduction of CO2 to CO
ACS Energy Lett., 2018, 3 (5), pp 1205–1211
DOI: 10.1021/acsenergylett.8b00474

High Photovoltage of 1 V on a Steady-State Certified Hole Transport Layer-Free Perovskite Solar Cell by a Molten-Salt Approach
ACS Energy Lett., 2018, 3 (5), pp 1122–1127
DOI: 10.1021/acsenergylett.8b00293

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ACS Photonics

Beam Steering with Dielectric Metalattices
This article is part of the Ultra-Capacity Metasurfaces with Low Dimension and High Efficiency special issue.
ACS Photonics, 2018, 5 (5), pp 1733–1741
DOI: 10.1021/acsphotonics.7b01217

Electrically Tunable Slow Light Using Graphene Metamaterials
This article is part of the Ultra-Capacity Metasurfaces with Low Dimension and High Efficiency special issue.
ACS Photonics, 2018, 5 (5), pp 1800–1807
DOI: 10.1021/acsphotonics.7b01551

Geometric-Phase Metasurfaces Based on Anisotropic Reflection: Generalized Design Rules
This article is part of the Ultra-Capacity Metasurfaces with Low Dimension and High Efficiency special issue.
ACS Photonics, 2018, 5 (5), pp 1755–1761
DOI: 10.1021/acsphotonics.7b01363

Inverse-Design and Demonstration of Ultracompact Silicon Meta-Structure Mode Exchange Device
ACS Photonics, 2018, 5 (5), pp 1833–1838
DOI: 10.1021/acsphotonics.8b00013

Metasurfaces with Electric Quadrupole and Magnetic Dipole Resonant Coupling
ACS Photonics, 2018, 5 (5), pp 2022–2033
DOI: 10.1021/acsphotonics.7b01520

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Energy & Fuels

2nd International Conference on the Sustainable Energy and Environmental Development
Energy Fuels, 2018, 32 (5), pp 5665–5665
DOI: 10.1021/acs.energyfuels.8b00632

As Green As It Gets: An Abundant Kinetic Hydrate Inhibitor from Nature
Energy Fuels, 2018, 32 (5), pp 5772–5778
DOI: 10.1021/acs.energyfuels.8b00367

Coalescence of Crude Oil Droplets in Brine Systems: Effect of Individual Electrolytes
Energy Fuels, 2018, 32 (5), pp 5763–5771
DOI: 10.1021/acs.energyfuels.8b00309

Combined Experimental, Theoretical, and Molecular Simulation Approach for the Description of the Fluid-Phase Behavior of Hydrocarbon Mixtures within Shale Rocks
Open access through ACS AuthorChoice
Energy Fuels, 2018, 32 (5), pp 5750–5762
DOI: 10.1021/acs.energyfuels.8b00200

Comparison of Catalysts Based on Individual Alkali and Alkaline Earth Metals with Their Composites Used for Steam Gasification of Coal
Energy Fuels, 2018, 32 (5), pp 5684–5692
DOI: 10.1021/acs.energyfuels.7b03562

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Industrial & Engineering Chemistry Research

Comprehensive Review of the Design Optimization of Natural Gas Liquefaction Processes: Current Status and Perspectives
Ind. Eng. Chem. Res., 2018, 57 (17), pp 5819–5844
DOI: 10.1021/acs.iecr.7b03630

Efficient Removal of Pb2+ from Aqueous Solution by an Ionic Covalent–Organic Framework: Molecular Simulation Study
Ind. Eng. Chem. Res., 2018, 57 (18), pp 6477–6482
DOI: 10.1021/acs.iecr.8b00625

Hierarchical NiO@NiCo2O4 Core–shell Nanosheet Arrays on Ni Foam for High-Performance Electrochemical Supercapacitors
Ind. Eng. Chem. Res., 2018, 57 (18), pp 6246–6256
DOI: 10.1021/acs.iecr.8b00467

Key Issues and Challenges on the Liquefied Natural Gas Value Chain: A Review from the Process Systems Engineering Point of View
Ind. Eng. Chem. Res., 2018, 57 (17), pp 5805–5818
DOI: 10.1021/acs.iecr.7b03899

Manufacturing Ethylene from Wet Shale Gas and Biomass: Comparative Technoeconomic Analysis and Environmental Life Cycle Assessment
This article is part of the PSE Advances in Natural Gas Value Chain special issue.
Ind. Eng. Chem. Res., 2018, 57 (17), pp 5980–5998
DOI: 10.1021/acs.iecr.7b03731

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Journal of Chemical & Engineering Data

Comment on “Determination and Correlation of Liquid–Liquid Equilibrium Data for the Ternary Dichloromethane + Water + N,N-Dimethylacetamide System”
J. Chem. Eng. Data, 2018, 63 (5), pp 1841–1843
DOI: 10.1021/acs.jced.6b00473

Ensuring That Correlation Parameters for Liquid–Liquid Equilibrium Produce the Right Results
J. Chem. Eng. Data, 2018, 63 (5), pp 1133–1134
DOI: 10.1021/acs.jced.8b00260

Improving CO2 Adsorption Capacity and CO2/CH4 Selectivity with Amine Functionalization of MIL-100 and MIL-101
J. Chem. Eng. Data, 2018, 63 (5), pp 1657–1662
DOI: 10.1021/acs.jced.8b00014

Phosphonium-Based Poly(ionic liquid)/Ionic Liquid Ion Gel Membranes: Influence of Structure and Ionic Liquid Loading on Ion Conductivity and Light Gas Separation Performance
J. Chem. Eng. Data, 2018, 63 (5), pp 1154–1162
DOI: 10.1021/acs.jced.7b00541

Retraction of “Determination and Correlation of Liquid–Liquid Equilibrium Data for the Ternary Dichloromethane + Water + N,N-Dimethylacetamide System”
J. Chem. Eng. Data, 2018, 63 (5), pp 1847–1847
DOI: 10.1021/acs.jced.8b00247

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Computational Chemistry: A Rising Tide of Women
J. Chem. Inf. Model., 2018, 58 (5), pp 911–915
DOI: 10.1021/acs.jcim.8b00170

Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty
J. Chem. Inf. Model., 2018, 58 (5), pp 1132–1140
DOI: 10.1021/acs.jcim.8b00054

Exploration and Comparison of the Geometrical and Physicochemical Properties of an αC Allosteric Pocket in the Structural Kinome
J. Chem. Inf. Model., 2018, 58 (5), pp 1094–1103
DOI: 10.1021/acs.jcim.7b00735

Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models
J. Chem. Inf. Model., 2018, 58 (5), pp 1037–1052
DOI: 10.1021/acs.jcim.8b00026

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets
Open access through ACS Editors’ Choice
J. Chem. Inf. Model., 2018, 58 (5), pp 902–910
DOI: 10.1021/acs.jcim.8b00173

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Journal of Chemical Theory and Computation

Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions
J. Chem. Theory Comput., 2018, 14 (5), pp 2289–2303
DOI: 10.1021/acs.jctc.8b00006

Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes
J. Chem. Theory Comput., 2018, 14 (5), pp 2304–2311
DOI: 10.1021/acs.jctc.7b01196

Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
J. Chem. Theory Comput., 2018, 14 (5), pp 2456–2468
DOI: 10.1021/acs.jctc.8b00061

Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2018, 14 (5), pp 2667–2677
DOI: 10.1021/acs.jctc.8b00170

On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes
J. Chem. Theory Comput., 2018, 14 (5), pp 2401–2417
DOI: 10.1021/acs.jctc.7b01256

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Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters
J. Phys. Chem. A, 2018, 122 (17), pp 4350–4356
DOI: 10.1021/acs.jpca.8b00540

Gas-Phase Ion Chemistry of Metalloporphyrin Anions with Molecular Oxygen: Probing the Influence of the Oxidation and Spin State of the Central Transition Metal by Experiment and Theory
J. Phys. Chem. A, 2018, 122 (17), pp 4357–4365
DOI: 10.1021/acs.jpca.8b01715

Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2018, 122 (17), pp 4219–4245
DOI: 10.1021/acs.jpca.7b08966

Machine-Learning Energy Gaps of Porphyrins with Molecular Graph Representations
J. Phys. Chem. A, 2018, 122 (18), pp 4571–4578
DOI: 10.1021/acs.jpca.8b02842

N–H···S Interaction Continues To Be an Enigma: Experimental and Computational Investigations of Hydrogen-Bonded Complexes of Benzimidazole with Thioethers
J. Phys. Chem. A, 2018, 122 (17), pp 4313–4321
DOI: 10.1021/acs.jpca.8b01943

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The Journal of Physical Chemistry B

Dynamics of Long-Distance Hydrogen-Bond Networks in Photosystem II
Open access through ACS Editors’ Choice
J. Phys. Chem. B, 2018, 122 (17), pp 4625–4641
DOI: 10.1021/acs.jpcb.8b00649

Effect of Hydrogen-Bonding Interaction on the Arrangement and Dynamics of Water Confined in a Polyamide Membrane: A Molecular Dynamics Simulation
J. Phys. Chem. B, 2018, 122 (17), pp 4719–4728
DOI: 10.1021/acs.jpcb.7b12790

Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics Simulations
J. Phys. Chem. B, 2018, 122 (18), pp 4891–4900
DOI: 10.1021/acs.jpcb.8b02355

Generic Schemes for Single-Molecule Kinetics. 3: Self-Consistent Pathway Solutions for Nonrenewal Processes
J. Phys. Chem. B, 2018, 122 (17), pp 4601–4610
DOI: 10.1021/acs.jpcb.7b10507

Hydrogen-Bond Networks near Supported Lipid Bilayers from Vibrational Sum Frequency Generation Experiments and Atomistic Simulations
J. Phys. Chem. B, 2018, 122 (18), pp 4870–4879
DOI: 10.1021/acs.jpcb.8b02138

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The Journal of Physical Chemistry C

Borophene as Conductive Additive to Boost the Performance of MoS2-Based Anode Materials
J. Phys. Chem. C, 2018, 122 (17), pp 9302–9311
DOI: 10.1021/acs.jpcc.8b00768

Effect of Surface Trap States on Photocatalytic Activity of Semiconductor Quantum Dots
J. Phys. Chem. C, 2018, 122 (17), pp 9312–9319
DOI: 10.1021/acs.jpcc.8b01206

Impacts of the Properties of Anode Solid Electrolyte Interface on the Storage Life of Li-Ion Batteries
J. Phys. Chem. C, 2018, 122 (17), pp 9411–9416
DOI: 10.1021/acs.jpcc.7b11757

Manifold Coupling Mechanisms of Transition Metal Dichalcogenides to Plasmonic Gold Nanoparticle Arrays
J. Phys. Chem. C, 2018, 122 (17), pp 9663–9670
DOI: 10.1021/acs.jpcc.8b01154

Pressure-Tailored Band Gap Engineering and Structure Evolution of Cubic Cesium Lead Iodide Perovskite Nanocrystals
J. Phys. Chem. C, 2018, 122 (17), pp 9332–9338
DOI: 10.1021/acs.jpcc.8b01673

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The Journal of Physical Chemistry Letters

Fourier Transform Infrared Analysis of the S-State Cycle of Water Oxidation in the Microcrystals of Photosystem II
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2018, 9 (9), pp 2121–2126
DOI: 10.1021/acs.jpclett.8b00638

HOMO Level Pinning in Molecular Junctions: Joint Theoretical and Experimental Evidence
J. Phys. Chem. Lett., 2018, 9 (9), pp 2394–2403
DOI: 10.1021/acs.jpclett.8b00575

Noncovalent Molecular Electronics
J. Phys. Chem. Lett., 2018, 9 (9), pp 2298–2304
DOI: 10.1021/acs.jpclett.8b00980

One-Dimensional Organic–Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations
J. Phys. Chem. Lett., 2018, 9 (9), pp 2438–2442
DOI: 10.1021/acs.jpclett.8b00458

Organic–Inorganic Hybrid Ruddlesden–Popper Perovskites: An Emerging Paradigm for High-Performance Light-Emitting Diodes
J. Phys. Chem. Lett., 2018, 9 (9), pp 2251–2258
DOI: 10.1021/acs.jpclett.8b00755