Discover the Most-Read Physical Chemistry Articles of Feb. 2017

What were chemists reading in February of 2017? To find out, we’ve compiled lists of the five most-read physical chemistry articles that appeared in each related ACS Publications journal in February 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.
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ACS Energy Letters

Electrochemical Capture and Release of Carbon Dioxide
Open access through ACS Editors’ Choice
ACS Energy Lett., 2017, 2 (2), pp 454–461
DOI: 10.1021/acsenergylett.6b00608

Advances and Obstacles on Perovskite Solar Cell Research from Material Properties to Photovoltaic Function
ACS Energy Lett., 2017, 2 (2), pp 520–523
DOI: 10.1021/acsenergylett.7b00085

Are You Making the Right Presentation at the Scientific Meeting?
ACS Energy Lett., 2017, 2 (2), pp 408–409
DOI: 10.1021/acsenergylett.7b00004

Next-Generation Solar Cells and Conversion of Solar Energy
ACS Energy Lett., 2017, 2 (2), pp 334–335
DOI: 10.1021/acsenergylett.6b00645

High-Efficiency Rubidium-Incorporated Perovskite Solar Cells by Gas Quenching
Open access through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (2), pp 438–444
DOI: 10.1021/acsenergylett.6b00697

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ACS Photonics

Visible Light, Wide-Angle Graded Metasurface for Back Reflection
ACS Photonics, 2017, 4 (2), pp 228–235
DOI: 10.1021/acsphotonics.6b00965

Optimization of Nanoparticle-Based SERS Substrates through Large-Scale Realistic Simulations
Open access through ACS Editors’ Choice
ACS Photonics, 2017, 4 (2), pp 329–337
DOI: 10.1021/acsphotonics.6b00786

Light Outcoupling from Quantum Dot-Based Microdisk Laser via Plasmonic Nanoantenna
ACS Photonics, 2017, 4 (2), pp 275–281
DOI: 10.1021/acsphotonics.6b00552

All-Optical Pattern Recognition and Image Processing on a Metamaterial Beam Splitter
Open access through ACS AuthorChoice
ACS Photonics, 2017, 4 (2), pp 217–222
DOI: 10.1021/acsphotonics.6b00921

Tunable Full-Color Electroluminescence from All-Organic Optical Upconversion Devices by Near-Infrared Sensing
ACS Photonics, 2017, 4 (2), pp 223–227
DOI: 10.1021/acsphotonics.6b00964

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Energy & Fuels

Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations
Open access through ACS AuthorChoice
Energy Fuels, 2017, 31 (2), pp 1108–1125
DOI: 10.1021/acs.energyfuels.6b02161

Chemical Kinetic Insights into the Octane Number and Octane Sensitivity of Gasoline Surrogate Mixtures
Energy Fuels, 2017, 31 (2), pp 1945–1960
DOI: 10.1021/acs.energyfuels.6b02659

Segregation of Amphiphilic Polymer-Coated Nanoparticles to Bicontinuous Oil/Water Microemulsion Phases
Energy Fuels, 2017, 31 (2), pp 1339–1346
DOI: 10.1021/acs.energyfuels.6b02687

Techno-economic Analysis of Metal–Organic Frameworks for Hydrogen and Natural Gas Storage
Energy Fuels, 2017, 31 (2), pp 2024–2032
DOI: 10.1021/acs.energyfuels.6b02510

New Composite Viscosity Reducer with Both Asphaltene Dispersion and Emulsifying Capability for Heavy and Ultraheavy Crude Oils
Energy Fuels, 2017, 31 (2), pp 1159–1173
DOI: 10.1021/acs.energyfuels.6b02265

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Industrial & Engineering Chemistry Research 

Biomimetic Superhydrophobic Engineering Metal Surface with Hierarchical Structure and Tunable Adhesion: Design of Microscale Pattern
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (4), pp 907–919
DOI: 10.1021/acs.iecr.6b03936

An Effective Biocatalytic Reactor–Rotating Packed Bed Applied in Hydrolysis Reactions
Open access through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (5), pp 1349–1353
DOI: 10.1021/acs.iecr.6b03381

Comprehensive Analysis of Sorption Enhanced Steam Methane Reforming in a Variable Volume Membrane Reactor
Ind. Eng. Chem. Res., 2017, 56 (7), pp 1758–1771
DOI: 10.1021/acs.iecr.6b04392

Zeolitic Imidazolate Framework-8 (ZIF-8) Membranes for Kr/Xe Separation
Ind. Eng. Chem. Res., 2017, 56 (6), pp 1682–1686
DOI: 10.1021/acs.iecr.6b04868

Facile Synthesis and Direct Activation of Zirconium Based Metal–Organic Frameworks from Acetone
Ind. Eng. Chem. Res., 2017, 56 (6), pp 1478–1484
DOI: 10.1021/acs.iecr.6b04361

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Journal of Chemical & Engineering Data

The Viscosity and Density of Ionic Liquid + Tetraglyme Mixtures and the Effect of Tetraglyme on CO2 Solubility
J. Chem. Eng. Data, 2017, 62 (2), pp 608–622
DOI: 10.1021/acs.jced.6b00596

Evaluating Characteristic Parameters for Carbon Dioxide in the Sanchez–Lacombe Equation of State
J. Chem. Eng. Data, 2017, 62 (2), pp 585–595
DOI: 10.1021/acs.jced.6b00743

Correction to “Measurement and Correlation of 1,4-Naphthoquinone and of Plumbagin Solubilities in Supercritical Carbon Dioxide”
J. Chem. Eng. Data, 2017, 62 (2), pp 886–887
DOI: 10.1021/acs.jced.7b00025

Thermodynamic Study of Methylene Blue Adsorption on Carbon Nanotubes Using Isothermal Titration Calorimetry: A Simple and Rigorous Approach
J. Chem. Eng. Data, 2017, 62 (2), pp 729–737
DOI: 10.1021/acs.jced.6b00804

Correction to “Liquid–Liquid Equilibria in Aqueous Mixtures of Alkylmethylimidazolium Glutamate with Potassium Carbonate and Some Physicochemical Properties of Aqueous [Cnmim][Glu] (n = 4, 6, 8) Solutions”
J. Chem. Eng. Data, 2017, 62 (2), pp 885–885
DOI: 10.1021/acs.jced.6b00906

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Journal of Chemical Information and Modeling

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (2), pp 115–121
DOI: 10.1021/acs.jcim.6b00686

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide
J. Chem. Inf. Model., 2017, 57 (2), pp 190–202
DOI: 10.1021/acs.jcim.6b00443

Binding Pose Flip Explained via Enthalpic and Entropic Contributions
Open access through ACS AuthorChoice
J. Chem. Inf. Model., 2017, 57 (2), pp 345–354
DOI: 10.1021/acs.jcim.6b00483

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization
J. Chem. Inf. Model., 2017, 57 (2), pp 133–147
DOI: 10.1021/acs.jcim.6b00426

pmx Webserver: A User Friendly Interface for Alchemistry
J. Chem. Inf. Model., 2017, 57 (2), pp 109–114
DOI: 10.1021/acs.jcim.6b00498

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Journal of Chemical Theory and Computation

Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (2), pp 451–459
DOI: 10.1021/acs.jctc.6b00778

Quantitative Assessment of Molecular Dynamics Sampling for Flexible Systems
J. Chem. Theory Comput., 2017, 13 (2), pp 400–414
DOI: 10.1021/acs.jctc.6b00823

Systematic Quantum Mechanical Region Determination in QM/MM Simulation
J. Chem. Theory Comput., 2017, 13 (2), pp 563–576
DOI: 10.1021/acs.jctc.6b01049

Modeling Diversity in Structures of Bacterial Outer Membrane Lipids
J. Chem. Theory Comput., 2017, 13 (2), pp 811–824
DOI: 10.1021/acs.jctc.6b00856

A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies
Open access through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (2), pp 415–424
DOI: 10.1021/acs.jctc.6b00506

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The Journal of Physical Chemistry A

Natural Bond Orbitals and the Nature of the Hydrogen Bond
J. Phys. Chem. A, 2017, 121 (7), pp 1531–1534
DOI: 10.1021/acs.jpca.6b12930

Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy
Open access through ACS Editors’ Choice
J. Phys. Chem. A, 2017, 121 (7), pp 1389–1401
DOI: 10.1021/acs.jpca.6b09784

Why Are Addition Reactions to N2 Thermodynamically Unfavorable?
J. Phys. Chem. A, 2017, 121 (5), pp 1140–1144
DOI: 10.1021/acs.jpca.6b11728

Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames
J. Phys. Chem. A, 2017, 121 (5), pp 901–926
DOI: 10.1021/acs.jpca.6b09735

“Watching” the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor
J. Phys. Chem. A, 2017, 121 (6), pp 1240–1249
DOI: 10.1021/acs.jpca.6b12253

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The Journal of Physical Chemistry B

Editorial – Virtual Issue of JPCB on Biophysics
J. Phys. Chem. B, 2017, 121 (5), pp 913–914
DOI: 10.1021/acs.jpcb.6b12749

Characterization of Nanocellulose Using Small-Angle Neutron, X-ray, and Dynamic Light Scattering Techniques
J. Phys. Chem. B, 2017, 121 (6), pp 1340–1351
DOI: 10.1021/acs.jpcb.6b11425

A Spectroscopic and Molecular Simulation Approach toward the Binding Affinity between Lysozyme and Phenazinium Dyes: An Effect on Protein Conformation
J. Phys. Chem. B, 2017, 121 (7), pp 1475–1484
DOI: 10.1021/acs.jpcb.6b10991

The Levinthal Problem in Amyloid Aggregation: Sampling of a Flat Reaction Space
J. Phys. Chem. B, 2017, 121 (7), pp 1576–1586
DOI: 10.1021/acs.jpcb.7b00253

Coarse-Grained Molecular Simulation of the Hierarchical Self-Assembly of π-Conjugated Optoelectronic Peptides
J. Phys. Chem. B, 2017, 121 (7), pp 1684–1706
DOI: 10.1021/acs.jpcb.6b10165

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The Journal of Physical Chemistry C

Photon Reabsorption in Mixed CsPbCl3:CsPbI3 Perovskite Nanocrystal Films for Light-Emitting Diodes
J. Phys. Chem. C, 2017, 121 (7), pp 3790–3796
DOI: 10.1021/acs.jpcc.6b12828

Light-Induced Degradation of CH3NH3PbI3 Hybrid Perovskite Thin Film
J. Phys. Chem. C, 2017, 121 (7), pp 3904–3910
DOI: 10.1021/acs.jpcc.6b11853

Ag Doping of Organometal Lead Halide Perovskites: Morphology Modification and p-Type Character
J. Phys. Chem. C, 2017, 121 (7), pp 3673–3679
DOI: 10.1021/acs.jpcc.6b09722

Control of Symmetry Breaking Size and Aspect Ratio in Gold Nanorods: Underlying Role of Silver Nitrate
J. Phys. Chem. C, 2017, 121 (6), pp 3549–3559
DOI: 10.1021/acs.jpcc.6b10343

Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C2N and MoS2 van der Waals Heterostructure as Photovoltaic Material
J. Phys. Chem. C, 2017, 121 (6), pp 3654–3660
DOI: 10.1021/acs.jpcc.6b12681

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The Journal of Physical Chemistry Letters

Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study
Open access through ACS Editors’ Choice
J. Phys. Chem. Lett., 2017, 8 (4), pp 742–746
DOI: 10.1021/acs.jpclett.7b00055

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap
J. Phys. Chem. Lett., 2017, 8 (4), pp 772–778
DOI: 10.1021/acs.jpclett.6b02682

Spectroscopic Evidences for Strong Hydrogen Bonds with Selenomethionine in Proteins
J. Phys. Chem. Lett., 2017, 8 (4), pp 794–800
DOI: 10.1021/acs.jpclett.6b02931

Electron Transfer from Triplet State of TIPS-Pentacene Generated by Singlet Fission Processes to CH3NH3PbI3 Perovskite
J. Phys. Chem. Lett., 2017, 8 (4), pp 884–888
DOI: 10.1021/acs.jpclett.7b00072

First-Principles Study of Novel Two-Dimensional (C4H9NH3)2PbX4 Perovskites for Solar Cell Absorbers
J. Phys. Chem. Lett., 2017, 8 (4), pp 876–883
DOI: 10.1021/acs.jpclett.7b00003

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