Discover the Most-Read Physical Chemistry Articles of October 2017

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

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

CuCoOx/FeOOH Core–Shell Nanowires as an Efficient Bifunctional Oxygen Evolution and Reduction Catalyst
ACS Energy Lett., 2017, 2 (10), pp 2498–2505
DOI: 10.1021/acsenergylett.7b00835

The Potential of Multijunction Perovskite Solar Cells
ACS Energy Lett., 2017, 2 (10), pp 2506–2513
DOI: 10.1021/acsenergylett.7b00647

From Photosynthesis to Photovoltaics: Finding Right Structures for High Photoconversion Efficiency
ACS Energy Lett., 2017, 2 (10), pp 2516–2517
DOI: 10.1021/acsenergylett.7b00885

Sulfur Copolymer: A New Cathode Structure for Room-Temperature Sodium–Sulfur Batteries
ACS Energy Lett., 2017, 2 (10), pp 2478–2485
DOI: 10.1021/acsenergylett.7b00714

Photoluminescence Up-Conversion in CsPbBr3 Nanocrystals
ACS Energy Lett., 2017, 2 (10), pp 2514–2515
DOI: 10.1021/acsenergylett.7b00902

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ACS Photonics

Direct Observation of Phase-Free Propagation in a Silicon Waveguide
ACS Photonics, 2017, 4 (10), pp 2385–2389
DOI: 10.1021/acsphotonics.7b00760

Spatiotemporal Dynamics and Control of Strong Coupling in Plasmonic Nanocavities
ACS Photonics, 2017, 4 (10), pp 2410–2418
DOI: 10.1021/acsphotonics.7b00437

Octave-Spanning Broadband Absorption of Terahertz Light Using Metasurface Fractal-Cross Absorbers
ACS Photonics, 2017, 4 (10), pp 2604–2612
DOI: 10.1021/acsphotonics.7b00906

Young’s Double-Slit, Invisible Objects and the Role of Noise in an Optical Epsilon-near-Zero Experiment
ACS Photonics, 2017, 4 (10), pp 2566–2572
DOI: 10.1021/acsphotonics.7b00861

Virtual Issue on Plasmonic-Based Sensing
ACS Photonics, 2017, 4 (10), pp 2382–2384
DOI: 10.1021/acsphotonics.7b01062

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Energy & Fuels

Understanding Shale Gas: Recent Progress and Remaining Challenges
Open Access Through ACS AuthorChoice.
Energy Fuels, 2017, 31 (10), pp 10300–10310
DOI: 10.1021/acs.energyfuels.7b01023

Petroleomic Characterization of Pyrolysis Bio-oils: A Review
Energy Fuels, 2017, 31 (10), pp 10283–10299
DOI: 10.1021/acs.energyfuels.7b00826

Swelling of Shales: A Multiscale Experimental Investigation
Energy Fuels, 2017, 31 (10), pp 10442–10451
DOI: 10.1021/acs.energyfuels.7b01223

Hydrophobic Effect on Gas Hydrate Formation in the Presence of Additives
Energy Fuels, 2017, 31 (10), pp 10311–10323
DOI: 10.1021/acs.energyfuels.7b01467

Impact of Gaseous Chemistry in H2–O2–N2 Combustion over Platinum at Fuel-Lean Stoichiometries and Pressures of 1.0–3.5 bar
Energy Fuels, 2017, 31 (10), pp 11448–11459
DOI: 10.1021/acs.energyfuels.7b02011

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Industrial & Engineering Chemistry Research

Highly Active Ni2P Catalyst Supported on Core–Shell Structured Al2O3@TiO2 and Its Performance for Benzofuran Hydrodeoxygenation
Ind. Eng. Chem. Res., 2017, 56 (42), pp 12038–12045
DOI: 10.1021/acs.iecr.7b02018

Design Strategies for Promising Organic Positive Electrodes in Lithium-Ion Batteries: Quinones and Carbon Materials
Ind. Eng. Chem. Res., 2017, 56 (42), pp 12009–12023
DOI: 10.1021/acs.iecr.7b03109

Characterization and Modeling of the Liquid Phase of Deep Eutectic Solvents Based on Fatty Acids/Alcohols and Choline Chloride
Ind. Eng. Chem. Res., 2017, 56 (42), pp 12192–12202
DOI: 10.1021/acs.iecr.7b02382

Graphene-Derived Supports for Hydroprocessing Catalysts
Ind. Eng. Chem. Res., 2017, 56 (40), pp 11359–11371
DOI: 10.1021/acs.iecr.7b02318

Oligomerization of Biomass-Derived Light Olefins to Liquid Fuel: Effect of Alkali Treatment on the HZSM-5 Catalyst
Ind. Eng. Chem. Res., 2017, 56 (42), pp 12046–12055
DOI: 10.1021/acs.iecr.7b02316

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Journal of Chemical & Engineering Data

Solubility of Benzoin in Six Monosolvents and in Some Binary Solvent Mixtures at Various Temperatures
J. Chem. Eng. Data, 2017, 62 (10), pp 3071–3083
DOI: 10.1021/acs.jced.7b00238

Effect of Structural Variations on the Thermophysical Properties of Protic Ionic Liquids: Insights from Experimental and Computational Studies
J. Chem. Eng. Data, 2017, 62 (10), pp 2993–3003
DOI: 10.1021/acs.jced.6b00450

Physicochemical Properties of Long Chain Alkylated Imidazolium Based Chloride and Bis(trifluoromethanesulfonyl)imide Ionic Liquids
J. Chem. Eng. Data, 2017, 62 (10), pp 3084–3094
DOI: 10.1021/acs.jced.7b00242

Density, Viscosity, and Structure of Equilibrium Solvent Phases in Butyric Acid Extraction by Phosphonium Ionic Liquid
J. Chem. Eng. Data, 2017, 62 (10), pp 3025–3035
DOI: 10.1021/acs.jced.7b00039

Facile Synthesis of β-SrHPO4 with Wide Applications in the Effective Removal of Pb2+ and Methyl Blue
J. Chem. Eng. Data, 2017, 62 (10), pp 3501–3511
DOI: 10.1021/acs.jced.7b00499

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Journal of Chemical Information and Modeling

Demystifying Multitask Deep Neural Networks for Quantitative Structure–Activity Relationships
J. Chem. Inf. Model., 2017, 57 (10), pp 2490–2504
DOI: 10.1021/acs.jcim.7b00087

Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs
J. Chem. Inf. Model., 2017, 57 (10), pp 2424–2436
DOI: 10.1021/acs.jcim.7b00335

Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures
J. Chem. Inf. Model., 2017, 57 (10), pp 2437–2447
DOI: 10.1021/acs.jcim.7b00391

PhID: An Open-Access Integrated Pharmacology Interactions Database for Drugs, Targets, Diseases, Genes, Side-Effects, and Pathways
J. Chem. Inf. Model., 2017, 57 (10), pp 2395–2400
DOI: 10.1021/acs.jcim.7b00175

Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study
J. Chem. Inf. Model., 2017, 57 (10), pp 2514–2522
DOI: 10.1021/acs.jcim.7b00412

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Journal of Chemical Theory and Computation

Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States
Open Access Through ACS Editors’ Choice.
J. Chem. Theory Comput., 2017, 13 (10), pp 4829–4840
DOI: 10.1021/acs.jctc.7b00735

Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?
J. Chem. Theory Comput., 2017, 13 (10), pp 4636–4648
DOI: 10.1021/acs.jctc.7b00777

Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code
J. Chem. Theory Comput., 2017, 13 (10), pp 5019–5027
DOI: 10.1021/acs.jctc.7b00687

Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme
J. Chem. Theory Comput., 2017, 13 (10), pp 5076–5088
DOI: 10.1021/acs.jctc.7b00571

Stochastic GW Calculations for Molecules
J. Chem. Theory Comput., 2017, 13 (10), pp 4997–5003
DOI: 10.1021/acs.jctc.7b00770

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The Journal of Physical Chemistry A

Viewpoints on the 2017 American Conference on Theoretical Chemistry
J. Phys. Chem. A, 2017, 121 (41), pp 7807–7812
DOI: 10.1021/acs.jpca.7b09624

Carbon–Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2
This article is part of The Journal of Physical Chemistry virtual special issue “W. Lester S. Andrews Festschrift.”
Open Access Through ACS AuthorChoice.

J. Phys. Chem. A, 2017, 121 (42), pp 8136–8146
DOI: 10.1021/acs.jpca.7b08393

Characterizing Chemical Similarity with Vibrational Spectroscopy: New Insights into the Substituent Effects in Monosubstituted Benzenes
J. Phys. Chem. A, 2017, 121 (42), pp 8086–8096
DOI: 10.1021/acs.jpca.7b08298

Accurate Assignments of Excited-State Resonance Raman Spectra: A Benchmark Study Combining Experiment and Theory
Open Access Through ACS AuthorChoice.
J. Phys. Chem. A, 2017, 121 (41), pp 7937–7946
DOI: 10.1021/acs.jpca.7b09467

H-Atom Abstraction Reactions by Ground-State Ozone from Saturated Oxygenates
J. Phys. Chem. A, 2017, 121 (42), pp 8053–8060
DOI: 10.1021/acs.jpca.7b07760

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The Journal of Physical Chemistry B

Thermodynamics of Hydration Water around an Antifreeze Protein: A Molecular Simulation Study
J. Phys. Chem. B, 2017, 121 (41), pp 9498–9507
DOI: 10.1021/acs.jpcb.7b05892

Roles of Chemical Functionality and Pore Curvature in the Design of Nanoporous Proton Conductors
J. Phys. Chem. B, 2017, 121 (40), pp 9429–9436
DOI: 10.1021/acs.jpcb.7b06366

Effect of a Tertiary Butyl Group on Polar Solvation Dynamics in Aqueous Solution: Femtosecond Fluorescence Spectroscopy
J. Phys. Chem. B, 2017, 121 (41), pp 9631–9638
DOI: 10.1021/acs.jpcb.7b05031

Nonexponential Kinetics of Loop Formation in Proteins and Peptides: A Signature of Rugged Free Energy Landscapes?
J. Phys. Chem. B, 2017, 121 (41), pp 9518–9525
DOI: 10.1021/acs.jpcb.7b07075

Reduced Point Charge Models of Proteins: Effect of Protein–Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems
J. Phys. Chem. B, 2017, 121 (42), pp 9771–9784
DOI: 10.1021/acs.jpcb.7b06355

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The Journal of Physical Chemistry C

Heat-Treatment of Defective UiO-66 from Modulated Synthesis: Adsorption and Stability Studies
Open Access Through ACS Editors’ Choice.
J. Phys. Chem. C, 2017, 121 (42), pp 23471–23479
DOI: 10.1021/acs.jpcc.7b07772

PtRu Alloy Nanoparticles I. Physicochemical Characterizations of Structures Formed as a Function of the Type of Deposition and Their Evolutions on Annealing
Open Access Through ACS Editors’ Choice.
J. Phys. Chem. C, 2017, 121 (41), pp 23104–23119
DOI: 10.1021/acs.jpcc.7b04434

Temperature Dependent Charge Carrier Dynamics in Formamidinium Lead Iodide Perovskite
Open Access Through ACS AuthorChoice.
J. Phys. Chem. C, 2017, 121 (42), pp 23392–23397
DOI: 10.1021/acs.jpcc.7b09303

Scaling Relations for Acidity and Reactivity of Zeolites
Open Access Through ACS AuthorChoice.
J. Phys. Chem. C, 2017, 121 (42), pp 23520–23530
DOI: 10.1021/acs.jpcc.7b08176

Mesoporous TiO2/g-C3N4 Microspheres with Enhanced Visible-Light Photocatalytic Activity
J. Phys. Chem. C, 2017, 121 (40), pp 22114–22122
DOI: 10.1021/acs.jpcc.7b06493

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The Journal of Physical Chemistry Letters

Protein Hydration Dynamics: Much Ado about Nothing?
J. Phys. Chem. Lett., 2017, 8 (19), pp 4878–4882
DOI: 10.1021/acs.jpclett.7b02324

Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective
Open Access Through ACS AuthorChoice.
J. Phys. Chem. Lett., 2017, 8 (20), pp 5209–5215
DOI: 10.1021/acs.jpclett.7b02193

Stability and Performance of Sulfide-, Nitride-, and Phosphide-Based Electrodes for Photocatalytic Solar Water Splitting
J. Phys. Chem. Lett., 2017, 8 (20), pp 5228–5238
DOI: 10.1021/acs.jpclett.7b00772

Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles
J. Phys. Chem. Lett., 2017, 8 (20), pp 5091–5098
DOI: 10.1021/acs.jpclett.7b02364

Self-Assembly of Mesophases from Nanoparticles
J. Phys. Chem. Lett., 2017, 8 (20), pp 5053–5058
DOI: 10.1021/acs.jpclett.7b02237

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