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

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ACS Earth and Space Chemistry

Ab Initio Thermodynamics of Hydrated Calcium Carbonates and Calcium Analogues of Magnesium Carbonates: Implications for Carbonate Crystallization Pathways
ACS Earth Space Chem., 2018, 2 (3), pp 210–224
DOI: 10.1021/acsearthspacechem.7b00101

Aqueous Phase Photo-oxidation of Brown Carbon Nitrophenols: Reaction Kinetics, Mechanism, and Evolution of Light Absorption
ACS Earth Space Chem., 2018, 2 (3), pp 225–234
DOI: 10.1021/acsearthspacechem.7b00123

Composition of Size-Resolved Aged Boreal Fire Aerosols: Brown Carbon, Biomass Burning Tracers, and Reduced Nitrogen
ACS Earth Space Chem., 2018, 2 (3), pp 278–285
DOI: 10.1021/acsearthspacechem.7b00137

DFT Studies on the Water-Assisted Synergistic Proton Dissociation Mechanism for the Spontaneous Hydrolysis Reaction of Al3+ in Aqueous Solution
ACS Earth Space Chem., 2018, 2 (3), pp 269–277
DOI: 10.1021/acsearthspacechem.7b00142

Effect of Photolysis on Absorption and Fluorescence Spectra of Light-Absorbing Secondary Organic Aerosols
ACS Earth Space Chem., 2018, 2 (3), pp 235–245
DOI: 10.1021/acsearthspacechem.7b00153

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ACS Energy Letters

Atomically Thin Two-Dimensional Solids: An Emerging Platform for CO2 Electroreduction
ACS Energy Lett., 2018, 3 (3), pp 624–633
DOI: 10.1021/acsenergylett.7b01343

Benchmark Study of Hydrogen Storage in Metal–Organic Frameworks under Temperature and Pressure Swing Conditions
ACS Energy Lett., 2018, 3 (3), pp 748–754
DOI: 10.1021/acsenergylett.8b00154

Bilateral Interface Engineering toward Efficient 2D–3D Bulk Heterojunction Tin Halide Lead-Free Perovskite Solar Cells
ACS Energy Lett., 2018, 3 (3), pp 713–721
DOI: 10.1021/acsenergylett.8b00085

Boosting Fuel Cell Performance with Accessible Carbon Mesopores
ACS Energy Lett., 2018, 3 (3), pp 618–621
DOI: 10.1021/acsenergylett.8b00186

Colloidal CsPbX3 (X = Cl, Br, I) Nanocrystals 2.0: Zwitterionic Capping Ligands for Improved Durability and Stability
Open access through ACS AuthorChoice
ACS Energy Lett., 2018, 3 (3), pp 641–646
DOI: 10.1021/acsenergylett.8b00035

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ACS Photonics

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
Open access through ACS AuthorChoice
ACS Photonics, 2018, 5 (3), pp 992–1005
DOI: 10.1021/acsphotonics.7b01279

Active Tuning of Strong Coupling States between Dye Excitons and Localized Surface Plasmons via Electrochemical Potential Control
ACS Photonics, 2018, 5 (3), pp 788–796
DOI: 10.1021/acsphotonics.7b00841

Comprehensive Study of Plasmonic Materials in the Visible and Near-Infrared: Linear, Refractory, and Nonlinear Optical Properties
ACS Photonics, 2018, 5 (3), pp 1058–1067
DOI: 10.1021/acsphotonics.7b01346

Coupling of Epsilon-Near-Zero Mode to Gap Plasmon Mode for Flat-Top Wideband Perfect Light Absorption
ACS Photonics, 2018, 5 (3), pp 776–781
DOI: 10.1021/acsphotonics.7b01491

Direct Observation of Ultrafast Exciton Dissociation in Lead Iodide Perovskite by 2D Electronic Spectroscopy
ACS Photonics, 2018, 5 (3), pp 852–860
DOI: 10.1021/acsphotonics.7b01025

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Energy & Fuels

18th International Conference on Petroleum Phase Behavior and Fouling
Energy Fuels, 2018, 32 (3), pp 2641–2641
DOI: 10.1021/acs.energyfuels.8b00610

Characterization of Asphaltenes Precipitated at Different Solvent Power Conditions Using Atmospheric Pressure Photoionization (APPI) and Laser Desorption Ionization (LDI) Coupled to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)
Energy Fuels, 2018, 32 (3), pp 2653–2660
DOI: 10.1021/acs.energyfuels.7b02634

Combination of Different Thermal Analysis Methods Coupled to Mass Spectrometry for the Analysis of Asphaltenes and Their Parent Crude Oils: Comprehensive Characterization of the Molecular Pyrolysis Pattern
Energy Fuels, 2018, 32 (3), pp 2699–2711
DOI: 10.1021/acs.energyfuels.7b02762

Crude Oil Surface Active Species: Consequences for Enhanced Oil Recovery and Emulsion Stability
Energy Fuels, 2018, 32 (3), pp 2642–2652
DOI: 10.1021/acs.energyfuels.7b02811

Delayed Coker Coke Characterization: Correlation between Process Conditions, Coke Composition, and Morphology
Energy Fuels, 2018, 32 (3), pp 2722–2732
DOI: 10.1021/acs.energyfuels.7b02788

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Industrial & Engineering Chemistry Research

A Multistage Fluidized Bed for the Deep Removal of Sour Gases: Proof of Concept and Tray Efficiencies
Open access through ACS AuthorChoice
Ind. Eng. Chem. Res., 2018, 57 (11), pp 3866–3875
DOI: 10.1021/acs.iecr.7b04891

Acid-Free Conversion of Cellulose to 5-(Hydroxymethyl)furfural Catalyzed by Hot Seawater
Ind. Eng. Chem. Res., 2018, 57 (10), pp 3545–3553
DOI: 10.1021/acs.iecr.8b00443

Adsorption of Pharmaceuticals from Water and Wastewater Using Nonconventional Low-Cost Materials: A Review
Ind. Eng. Chem. Res., 2018, 57 (9), pp 3103–3127
DOI: 10.1021/acs.iecr.7b05137

An Approach to Determining the Number of Time Intervals for Solving Dynamic Optimization Problems
Ind. Eng. Chem. Res., 2018, 57 (12), pp 4340–4350
DOI: 10.1021/acs.iecr.7b03361

Comment on “Evaluation of the Performance of Newly Developed Demulsifiers on Dilbit Dehydration, Demineralization, and Hydrocarbon Losses to Tailings”
Ind. Eng. Chem. Res., 2018, 57 (12), pp 4474–4475
DOI: 10.1021/acs.iecr.7b04597

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Journal of Chemical & Engineering Data

Ammonium-Based Ionic Liquid as an Entrainer for the Separation of n-Propanol + Water and Isopropanol + Water Mixtures
J. Chem. Eng. Data, 2018, 63 (3), pp 498–507
DOI: 10.1021/acs.jced.7b00523

Correction to Effect of Ba Content on Oxygen Permeation Performance of BaxSr1–xCo0.8Fe0.2O3-δ (x = 0.2, 0.5, and 0.8) Perovskite-Type Membrane
J. Chem. Eng. Data, 2018, 63 (3), pp 857–857
DOI: 10.1021/acs.jced.8b00069

Hierarchical Porous Carbon Nanospheres for Efficient Removal of Toxic Organic Water Contaminants of Phenol and Methylene Blue
J. Chem. Eng. Data, 2018, 63 (3), pp 559–573
DOI: 10.1021/acs.jced.7b00745

Measurement and Correlation of Isobaric Vapor–Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa
J. Chem. Eng. Data, 2018, 63 (3), pp 845–852
DOI: 10.1021/acs.jced.7b01024

Palladium(II) Chloride Complex Ion Recovery from Aqueous Solutions Using Adsorption on Activated Carbon
Open access through ACS AuthorChoice
J. Chem. Eng. Data, 2018, 63 (3), pp 702–711
DOI: 10.1021/acs.jced.7b00885

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Journal of Chemical Information and Modeling

Applying Pose Clustering and MD Simulations To Eliminate False Positives in Molecular Docking
J. Chem. Inf. Model., 2018, 58 (3), pp 605–614
DOI: 10.1021/acs.jcim.7b00588

BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
J. Chem. Inf. Model., 2018, 58 (3), pp 556–560
DOI: 10.1021/acs.jcim.7b00695

ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications
J. Chem. Inf. Model., 2018, 58 (3), pp 561–564
DOI: 10.1021/acs.jcim.7b00714

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview
J. Chem. Inf. Model., 2018, 58 (3), pp 565–578
DOI: 10.1021/acs.jcim.8b00042

Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets
J. Chem. Inf. Model., 2018, 58 (3), pp 710–723
DOI: 10.1021/acs.jcim.7b00733

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Journal of Chemical Theory and Computation

A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method
J. Chem. Theory Comput., 2018, 14 (3), pp 1564–1582
DOI: 10.1021/acs.jctc.7b01175

Balancing Force Field Protein–Lipid Interactions To Capture Transmembrane Helix–Helix Association
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2018, 14 (3), pp 1706–1715
DOI: 10.1021/acs.jctc.7b00983

Computing the Free Energy without Collective Variables
J. Chem. Theory Comput., 2018, 14 (3), pp 1206–1215
DOI: 10.1021/acs.jctc.7b00916

Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach
J. Chem. Theory Comput., 2018, 14 (3), pp 1727–1736
DOI: 10.1021/acs.jctc.7b01088

Integrating Multiple Accelerated Molecular Dynamics To Improve Accuracy of Free Energy Calculations
J. Chem. Theory Comput., 2018, 14 (3), pp 1216–1227
DOI: 10.1021/acs.jctc.7b01211

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The Journal of Physical Chemistry A

Accurate Quantum Wave Packet Study of the Deep Well D+ + HD Reaction: Product Ro-vibrational State-Resolved Integral and Differential Cross Sections
J. Phys. Chem. A, 2018, 122 (9), pp 2319–2328
DOI: 10.1021/acs.jpca.7b08941

Can Urea Be a Seed for Aerosol Particle Formation in Air?
J. Phys. Chem. A, 2018, 122 (12), pp 3261–3269
DOI: 10.1021/acs.jpca.8b02189

Conformational Ensembles of Calmodulin Revealed by Nonperturbing Site-Specific Vibrational Probe Groups
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2018, 122 (11), pp 2947–2955
DOI: 10.1021/acs.jpca.8b00475

Deamidation of Protonated Asparagine–Valine Investigated by a Combined Spectroscopic, Guided Ion Beam, and Theoretical Study
Open access through ACS AuthorChoice
J. Phys. Chem. A, 2018, 122 (9), pp 2424–2436
DOI: 10.1021/acs.jpca.7b12348

Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?
J. Phys. Chem. A, 2018, 122 (9), pp 2598–2603
DOI: 10.1021/acs.jpca.8b00392

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The Journal of Physical Chemistry B

Comment on “The Mayonnaise Effect”
J. Phys. Chem. B, 2018, 122 (10), pp 2821–2823
DOI: 10.1021/acs.jpcb.8b01006

Glass-Transition Temperature of the β-Relaxation as the Major Predictive Parameter for Recrystallization of Neat Amorphous Drugs
J. Phys. Chem. B, 2018, 122 (10), pp 2803–2808
DOI: 10.1021/acs.jpcb.7b10105

Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations
J. Phys. Chem. B, 2018, 122 (9), pp 2635–2645
DOI: 10.1021/acs.jpcb.7b12455

Learning about Biomolecular Solvation from Water in Protein Crystals
J. Phys. Chem. B, 2018, 122 (9), pp 2475–2486
DOI: 10.1021/acs.jpcb.7b09898

Live Cell Microscopy: A Physical Chemistry Approach
Open access through ACS Editors’ Choice
J. Phys. Chem. B, 2018, 122 (12), pp 3023–3036
DOI: 10.1021/acs.jpcb.7b11689

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The Journal of Physical Chemistry C

Charge Carrier Dynamics in Cs2AgBiBr6 Double Perovskite
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2018, 122 (9), pp 4809–4816
DOI: 10.1021/acs.jpcc.8b00572

Figures of Merit Guiding Research on Organic Solar Cells
J. Phys. Chem. C, 2018, 122 (11), pp 5829–5843
DOI: 10.1021/acs.jpcc.8b01598

General Approach To Compute Phosphorescent OLED Efficiency
J. Phys. Chem. C, 2018, 122 (11), pp 6340–6347
DOI: 10.1021/acs.jpcc.8b00831

Ligand-Free Nanocrystals of Highly Emissive Cs4PbBr6 Perovskite
J. Phys. Chem. C, 2018, 122 (11), pp 6493–6498
DOI: 10.1021/acs.jpcc.8b01735

Low-T Mechanisms of Ammonia Synthesis on Co3Mo3N
Open access through ACS AuthorChoice
J. Phys. Chem. C, 2018, 122 (11), pp 6078–6082
DOI: 10.1021/acs.jpcc.7b12364

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The Journal of Physical Chemistry Letters

Accelerating Chemical Discovery with Machine Learning: Simulated Evolution of Spin Crossover Complexes with an Artificial Neural Network
Open access through ACS AuthorChoice
J. Phys. Chem. Lett., 2018, 9 (5), pp 1064–1071
DOI: 10.1021/acs.jpclett.8b00170

Designing Realizable and Scalable Techniques for Practical Lithium Sulfur Batteries: A Perspective
J. Phys. Chem. Lett., 2018, 9 (6), pp 1398–1414
DOI: 10.1021/acs.jpclett.7b03165

Electrons, Excitons, and Phonons in Two-Dimensional Hybrid Perovskites: Connecting Structural, Optical, and Electronic Properties
J. Phys. Chem. Lett., 2018, 9 (6), pp 1434–1447
DOI: 10.1021/acs.jpclett.8b00201

Interfacial Modification for High-Efficiency Vapor-Phase-Deposited Perovskite Solar Cells Based on a Metal Oxide Buffer Layer
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2018, 9 (5), pp 1041–1046
DOI: 10.1021/acs.jpclett.7b03361

Multicolor Luminescence Switching and Controllable Thermally Activated Delayed Fluorescence Turn on/Turn off in Carbazole–Quinoxaline–Carbazole Triads
J. Phys. Chem. Lett., 2018, 9 (5), pp 1172–1177
DOI: 10.1021/acs.jpclett.8b00136

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