Discover the Most Read Physical Chemistry Articles of Jan. 2017

What were chemists reading in January of 2017? To find out, we’ve compiled lists of the five most-read physical chemistry articles that appeared in each a chemistry ACS Publications journal in January 2017, including research, reviews, perspectives and editorial pieces. These lists were not chosen by the journal’s 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.

Analytical Chemistry | Applied Chemistry| Biological Chemistry| Materials Science & Engineering | Multidisciplinary Journals| Organic/Inorganic Chemistry

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ACS Energy Letters

Graphene Interface Engineering for Perovskite Solar Modules: 12.6% Power Conversion Efficiency over 50 cm2 Active Area
ACS Energy Lett., 2017, 2 (1), pp 279–287
DOI: 10.1021/acsenergylett.6b00672

Nickel-Rich Layered Cathode Materials for Automotive Lithium-Ion Batteries: Achievements and Perspectives
ACS Energy Lett., 2017, 2 (1), pp 196–223
DOI: 10.1021/acsenergylett.6b00594

Marching into the New Year
ACS Energy Lett., 2017, 2 (1), pp 263–264
DOI: 10.1021/acsenergylett.6b00685

Au–CsPbBr3 Hybrid Architecture: Anchoring Gold Nanoparticles on Cubic Perovskite Nanocrystals
Open Access Through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (1), pp 88–93
DOI: 10.1021/acsenergylett.6b00592

Energy Transfer in Quantum Dot Solids
Open Access Through ACS AuthorChoice
ACS Energy Lett., 2017, 2 (1), pp 154–160
DOI: 10.1021/acsenergylett.6b00569

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ACS Photonics

Dynamics of Strongly Coupled Modes between Surface Plasmon Polaritons and Photoactive Molecules: The Effect of the Stokes Shift
ACS Photonics, 2017, 4 (1), pp 28–37
DOI: 10.1021/acsphotonics.6b00482

Second-Harmonic Enhancement with Mie Resonances in Perovskite Nanoparticles
ACS Photonics, 2017, 4 (1), pp 76–84
DOI: 10.1021/acsphotonics.6b00570

Where Does Energy Go in Electron Energy Loss Spectroscopy of Nanostructures?
ACS Photonics, 2017, 4 (1), pp 156–164
DOI: 10.1021/acsphotonics.6b00761

Highly Sensitive Broadband Raman Sensing of Antibiotics in Step-Index Hollow-Core Photonic Crystal Fibers
ACS Photonics, 2017, 4 (1), pp 138–145
DOI: 10.1021/acsphotonics.6b00688

Single Type of Nanocavity Structure Enhances Light Outcouplings from Various Two-Dimensional Materials by over 100-Fold
ACS Photonics, 2017, 4 (1), pp 93–105
DOI: 10.1021/acsphotonics.6b00601

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Energy & Fuels

Nitrogen Removal from Oil: A Review
Energy Fuels, 2017, 31 (1), pp 14–36
DOI: 10.1021/acs.energyfuels.6b02779

Retraction of “Coal and Biomass Partial Gasification and Soot Properties in an Atmospheric Fluidized Bed”
Energy Fuels, 2017, 31 (1), pp 1051–1051
DOI: 10.1021/acs.energyfuels.6b03450

Functional Isomers in Petroleum Emulsion Interfacial Material Revealed by Ion Mobility Mass Spectrometry and Collision-Induced Dissociation
Energy Fuels, 2017, 31 (1), pp 311–318
DOI: 10.1021/acs.energyfuels.6b02411

Inhibition Effect Study of Carboxyl-Terminated Polyvinyl Caprolactam on Methane Hydrate Formation
Energy Fuels, 2017, 31 (1), pp 839–846
DOI: 10.1021/acs.energyfuels.6b02603

Biomass-Derived Activated Porous Carbon from Rice Straw for a High-Energy Symmetric Supercapacitor in Aqueous and Non-aqueous Electrolytes
Energy Fuels, 2017, 31 (1), pp 977–985
DOI: 10.1021/acs.energyfuels.6b01829

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Industrial & Engineering Chemistry Research

Spinning of Cellulose Nanofibrils into Filaments: A Review
Open Access Through ACS Editors’ Choice
Ind. Eng. Chem. Res., 2017, 56 (1), pp 8–19
DOI: 10.1021/acs.iecr.6b04010

Optimum Batch-Reactor Operation for the Synthesis of Biomass-Derived Renewable Polyesters
Ind. Eng. Chem. Res., 2017, 56 (2), pp 549–559
DOI: 10.1021/acs.iecr.6b03260

Systems Design and Economic Analysis of Direct Air Capture of CO2 through Temperature Vacuum Swing Adsorption Using MIL-101(Cr)-PEI-800 and mmen-Mg2(dobpdc) MOF Adsorbents
Ind. Eng. Chem. Res., 2017, 56 (3), pp 750–764
DOI: 10.1021/acs.iecr.6b03887

Improved Understanding of CO2–Water Pretreatment of Guayule Biomass by High Solids Ratio Experiments, Rapid Physical Expansion, and Examination of Textural Properties
Ind. Eng. Chem. Res., 2017, 56 (3), pp 645–652
DOI: 10.1021/acs.iecr.6b03318

Wood Liquefaction: Role of Solvent
Ind. Eng. Chem. Res., 2017, 56 (3), pp 635–644
DOI: 10.1021/acs.iecr.6b04086

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Journal of Chemical & Engineering Data

Editorial
J. Chem. Eng. Data, 2017, 62 (1), pp 1–2
DOI: 10.1021/acs.jced.6b01037

New Measurements of the Apparent Thermal Conductivity of Nanofluids and Investigation of Their Heat Transfer Capabilities
Open Access Through ACS Editors’ Choice
J. Chem. Eng. Data, 2017, 62 (1), pp 491–507
DOI: 10.1021/acs.jced.6b00767

Density, Viscosity, and N2O Solubility of Aqueous 2-(Methylamino)ethanol Solution
J. Chem. Eng. Data, 2017, 62 (1), pp 129–140
DOI: 10.1021/acs.jced.6b00504

Densities, Viscosities, Refractive Indices, and Excess Properties of Aqueous 1,2-Etanediol, 1,3-Propanediol, 1,4-Butanediol, and 1,5-Pentanediol Binary Mixtures
J. Chem. Eng. Data, 2017, 62 (1), pp 156–168
DOI: 10.1021/acs.jced.6b00526

Measurement and Correlation of Solubility of Loratadine in Different Pure Solvents and Binary Mixtures
J. Chem. Eng. Data, 2017, 62 (1), pp 391–397
DOI: 10.1021/acs.jced.6b00721

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Journal of Chemical Information and Modeling

Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals
J. Chem. Inf. Model., 2017, 57 (1), pp 11–21
DOI: 10.1021/acs.jcim.6b00340

Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure–Activity Relationship Information
Open Access Through ACS AuthorChoice 
J. Chem. Inf. Model., 2017, 57 (1), pp 27–35
DOI: 10.1021/acs.jcim.6b00386

MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations
J. Chem. Inf. Model., 2017, 57 (1), pp 1–5
DOI: 10.1021/acs.jcim.6b00571

Prediction of Protein Kinase–Ligand Interactions through 2.5D Kinochemometrics
J. Chem. Inf. Model., 2017, 57 (1), pp 93–101
DOI: 10.1021/acs.jcim.6b00520

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning
J. Chem. Inf. Model., 2017, 57 (1), pp 36–49
DOI: 10.1021/acs.jcim.6b00625

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Journal of Chemical Theory and Computation

Different Ways of Hydrogen Bonding in Water – Why Does Warm Water Freeze Faster than Cold Water?
J. Chem. Theory Comput., 2017, 13 (1), pp 55–76
DOI: 10.1021/acs.jctc.6b00735

A Reflection on Klaus Schulten
J. Chem. Theory Comput., 2017, 13 (1), pp 1–2
DOI: 10.1021/acs.jctc.6b01111

Gaussian Accelerated Molecular Dynamics in NAMD
J. Chem. Theory Comput., 2017, 13 (1), pp 9–19
DOI: 10.1021/acs.jctc.6b00931

Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration
Open Access Through ACS AuthorChoice
J. Chem. Theory Comput., 2017, 13 (1), pp 210–222
DOI: 10.1021/acs.jctc.6b00979

Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery
J. Chem. Theory Comput., 2017, 13 (1), pp 42–54
DOI: 10.1021/acs.jctc.6b00991

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The Journal of Physical Chemistry A

Editorial for January 2017 for JPC A/B/C
J. Phys. Chem. A, 2017, 121 (1), pp 1–3
DOI: 10.1021/acs.jpca.6b11794

Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods
This article was published as part of the Published as part of The Journal of Physical Chemistry virtual special issue “Mark S. Gordon Festschrift”.
J. Phys. Chem. A, 2017, 121 (3), pp 699–707
DOI: 10.1021/acs.jpca.6b10990

First-Principles Study of Molecular Clusters Formed by Nitric Acid and Ammonia
J. Phys. Chem. A, 2017, 121 (3), pp 661–668
DOI: 10.1021/acs.jpca.6b09185

Hydroxyacetone Production From C3 Criegee Intermediates
J. Phys. Chem. A, 2017, 121 (1), pp 16–23
DOI: 10.1021/acs.jpca.6b07712

New Insights into an Old Problem. Fluorescence Quenching of Sterically-Graded Pyrenes by Tertiary Aliphatic Amines
J. Phys. Chem. A, 2017, 121 (2), pp 458–470
DOI: 10.1021/acs.jpca.6b11382

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The Journal of Physical Chemistry B

Mechanism of Unfolding of Human Prion Protein
J. Phys. Chem. B, 2017, 121 (3), pp 550–564
DOI: 10.1021/acs.jpcb.6b11416

The Grateful Infrared: Sequential Protein Structural Changes Resolved by Infrared Difference Spectroscopy
J. Phys. Chem. B, 2017, 121 (2), pp 335–350
DOI: 10.1021/acs.jpcb.6b09222

Modeling of Transient Absorption Spectra in Exciton–Charge-Transfer Systems
J. Phys. Chem. B, 2017, 121 (3), pp 463–470
DOI: 10.1021/acs.jpcb.6b09858

Interactions in Water–Ionic Liquid Mixtures: Comparing Protic and Aprotic Systems
J. Phys. Chem. B, 2017, 121 (3), pp 599–609
DOI: 10.1021/acs.jpcb.6b10562

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations
J. Phys. Chem. B, 2017, 121 (1), pp 208–220
DOI: 10.1021/acs.jpcb.6b09489

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The Journal of Physical Chemistry C

Machine Learning Force Fields: Construction, Validation, and Outlook
Open Access Through ACS Editors’ Choice
J. Phys. Chem. C, 2017, 121 (1), pp 511–522
DOI: 10.1021/acs.jpcc.6b10908

Highly Efficient and Stable Perovskite Solar Cells by Interfacial Engineering Using Solution-Processed Polymer Layer
J. Phys. Chem. C, 2017, 121 (3), pp 1562–1568
DOI: 10.1021/acs.jpcc.6b12137

Li/Li7La3Zr2O12/LiFePO4 All-Solid-State Battery with Ultrathin Nanoscale Solid Electrolyte
J. Phys. Chem. C, 2017, 121 (3), pp 1431–1435
DOI: 10.1021/acs.jpcc.6b10268

Multiexciton Lifetime in All-Inorganic CsPbBr3 Perovskite Nanocrystals
J. Phys. Chem. C, 2017, 121 (3), pp 1941–1947
DOI: 10.1021/acs.jpcc.6b10551

Structure of Gold–Silver Nanoparticles
Open Access Through ACS AuthorChoice
J. Phys. Chem. C, 2017, 121 (3), pp 1957–1963
DOI: 10.1021/acs.jpcc.6b11186

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The Journal of Physical Chemistry Letters

High Defect Tolerance in Lead Halide Perovskite CsPbBr3
J. Phys. Chem. Lett., 2017, 8 (2), pp 489–493
DOI: 10.1021/acs.jpclett.6b02800

HLE16: A Local Kohn–Sham Gradient Approximation with Good Performance for Semiconductor Band Gaps and Molecular Excitation Energies
J. Phys. Chem. Lett., 2017, 8 (2), pp 380–387
DOI: 10.1021/acs.jpclett.6b02757

Construction of Compact Methylammonium Bismuth Iodide Film Promoting Lead-Free Inverted Planar Heterojunction Organohalide Solar Cells with Open-Circuit Voltage over 0.8 V
J. Phys. Chem. Lett., 2017, 8 (2), pp 394–400
DOI: 10.1021/acs.jpclett.6b02578

Excitation Energy Transfer by Coherent and Incoherent Mechanisms in the Peridinin–Chlorophyll a Protein
J. Phys. Chem. Lett., 2017, 8 (2), pp 463–469
DOI: 10.1021/acs.jpclett.6b02881

Developments of Metal Phosphides as Efficient OER Precatalysts
J. Phys. Chem. Lett., 2017, 8 (1), pp 144–152
DOI: 10.1021/acs.jpclett.6b02249

 

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