Discover the Most-Read Physical Chemistry Articles of September 2019 - ACS Axial | ACS Publications

Discover the Most-Read Physical Chemistry Articles of September 2019

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 September 2019, 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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ACS Applied Energy Materials


Nitrogen-Doped Mesostructured Carbon-Supported Metallic Cobalt Nanoparticles for Oxygen Evolution Reaction
Open Access Through ACS AuthorChoice
DOI: 10.1021/acsaem.9b01183

Tailoring the Surface of Silicon Nanoparticles for Enhanced Chemical and Electrochemical Stability for Li-Ion Batteries
DOI: 10.1021/acsaem.9b01601

Room-Temperature Fluoride Shuttle Batteries Based on a Fluorohydrogenate Ionic Liquid Electrolyte
DOI: 10.1021/acsaem.9b01260

The Central Role of Ligand Conjugation for Properties of Coordination Complexes as Hole-Transport Materials in Perovskite Solar Cells
Open Access Through ACS AuthorChoice
DOI: 10.1021/acsaem.9b01223

Influence of Reduced Cu Surface States on the Photoelectrochemical Properties of CuBi2O4
Open Access Through ACS AuthorChoice
DOI: 10.1021/acsaem.9b01333

ACS Earth and Space Chemistry


Secondary Organic Aerosol Formation from Healthy and Aphid-Stressed Scots Pine Emissions
Open Access Through ACS AuthorChoice
DOI: 10.1021/acsearthspacechem.9b00118

Compound-Specific Stable Carbon Isotope Ratios of Terrestrial Biomarkers in Urban Aerosols from Beijing, China
DOI: 10.1021/acsearthspacechem.9b00113

Insight into the Role of Water-Soluble Organic Solvents for the Cloud Condensation Nuclei Activation of Cholesterol
DOI: 10.1021/acsearthspacechem.9b00161

Ice Nucleation of Model Nanoplastics and Microplastics: A Novel Synthetic Protocol and the Influence of Particle Capping at Diverse Atmospheric Environments
DOI: 10.1021/acsearthspacechem.9b00132

Observations of Cometary Organics: A Post Rosetta Review
DOI: 10.1021/acsearthspacechem.9b00129

ACS Energy Letters


Single-Atom Catalysts: Are All Sites Created Equal?
DOI: 10.1021/acsenergylett.9b01820

In Situ Modification of a Delafossite-Type PdCoO2 Bulk Single Crystal for Reversible Hydrogen Sorption and Fast Hydrogen Evolution
Open Access Through ACS AuthorChoice
DOI: 10.1021/acsenergylett.9b01527

Molecular Insights into Heterogeneous Processes in Energy Storage and Conversion
DOI: 10.1021/acsenergylett.9b01701

Engineered Enzymes and Bioinspired Catalysts for Energy Conversion
Open Access Through ACS Editors’ Choice
DOI: 10.1021/acsenergylett.9b01308

Electrochemical Nitrogen Reduction: Identification and Elimination of Contamination in Electrolyte
DOI: 10.1021/acsenergylett.9b01573

ACS Photonics


Self-Rolled Multilayer Metasurfaces
Open Access Through ACS AuthorChoice
DOI: 10.1021/acsphotonics.9b00816

Second Harmonic and Sum-Frequency Generations from a Silicon Metasurface Integrated with a Two-Dimensional Material
DOI: 10.1021/acsphotonics.9b00553

Graphene-Based Surface Enhanced Vibrational Spectroscopy: Recent Developments, Challenges, and Applications
DOI: 10.1021/acsphotonics.9b00645

Ultrafast Dynamics of Hot Electrons in Nanostructures: Distinguishing the Influence on Interband and Plasmon Resonances
DOI: 10.1021/acsphotonics.9b00793

High Carrier Mobility in HgTe Quantum Dot Solids Improves Mid-IR Photodetectors
DOI: 10.1021/acsphotonics.9b01050

Energy & Fuels


Recent Advances in Heavy Oil Upgrading Using Dispersed Catalysts
DOI: 10.1021/acs.energyfuels.9b01532

Resins and Asphaltenes of Light and Heavy Oils: Their Composition and Structure
DOI: 10.1021/acs.energyfuels.9b00285

Molecular Structure and Solubility Determination of Asphaltenes
DOI: 10.1021/acs.energyfuels.9b01737

Anaerobic Thermophilic Digestion of Maotai-Flavored Distiller’s Grains: Process Performance and Microbial Community Dynamics
DOI: 10.1021/acs.energyfuels.9b02582

Interactions between Rock/Brine and Oil/Brine Interfaces within Thin Brine Film Wetting Carbonates: A Molecular Dynamics Simulation Study
DOI: 10.1021/acs.energyfuels.9b00496

Industrial & Engineering Chemistry Research


Preface for the Special Issue on Biorenewable Energy and Chemicals
DOI: 10.1021/acs.iecr.9b04442

I&EC Research 2019 Excellence in Review Awards
DOI: 10.1021/acs.iecr.9b04732

Multiscale Modeling of (Hemi)cellulose Hydrolysis and Cascade Hydrotreatment of 5-Hydroxymethylfurfural, Furfural, and Levulinic Acid
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.iecr.9b00898

Impact of Nanotechnology on Enhanced Oil Recovery: A Mini-Review
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.iecr.9b03693

Preparation of Carboxy-Functionalized Covalent Organic Framework for Efficient Removal of Hg2+ and Pb2+ from Water
DOI: 10.1021/acs.iecr.9b03138

Journal of Chemical & Engineering Data


Solubility of Water in Hydrogen at High Pressures: A Molecular Simulation Study
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jced.9b00513

Extension of Vibrating-Wire Viscometry to Electrically Conducting Fluids and Measurements of Viscosity and Density of Brines with Dissolved CO2 at Reservoir Conditions
Open Access Through ACS Editors’ Choice
DOI: 10.1021/acs.jced.9b00248

DOI: 10.1021/acs.jced.9b00791

Correction to “Ternary Liquid–Liquid Equilibrium of Toluene + Dimethyl Carbonate + ILs at 298.15 K and Atmospheric Pressure”
DOI: 10.1021/acs.jced.9b00823

Fick Diffusion Coefficients of the Gaseous CH4–CO2 System from Molecular Dynamics Simulations Using TraPPE Force Fields at 101.325, 506.625, 1013.25, 2533.12, and 5066.25 kPa
DOI: 10.1021/acs.jced.8b01198

Journal of Chemical Information and Modeling


Predicting Drug–Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation
DOI: 10.1021/acs.jcim.9b00387

New Trends in Virtual Screening
DOI: 10.1021/acs.jcim.9b00728

Comment on “Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis”
DOI: 10.1021/acs.jcim.9b00473

Molecular Simulation in Latin America: Coming of Age
DOI: 10.1021/acs.jcim.9b00589

Learning To Predict Reaction Conditions: Relationships between Solvent, Molecular Structure, and Catalyst
DOI: 10.1021/acs.jcim.9b00313

Journal of Chemical Theory and Computation


Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids
Open Access Through ACS Editors’ Choice
DOI: 10.1021/acs.jctc.9b00322

EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes
DOI: 10.1021/acs.jctc.9b00366

Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis
DOI: 10.1021/acs.jctc.9b00478

Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models
DOI: 10.1021/acs.jctc.9b00069

ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies
DOI: 10.1021/acs.jctc.9b00013

The Journal of Physical Chemistry A


Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives
DOI: 10.1021/acs.jpca.9b04203

Machine Learning for Predicting Electron Transfer Coupling
DOI: 10.1021/acs.jpca.9b04256

Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C3H+, HC3H+, and c-C3H2+: Structures, Isomers, and the Influence of Ne-Tagging
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpca.9b06176

Observation of Rainbows in the Rotationally Inelastic Scattering of NO with CH4
DOI: 10.1021/acs.jpca.9b06806

Prediction of Intramolecular Reorganization Energy Using Machine Learning
DOI: 10.1021/acs.jpca.9b02733

The Journal of Physical Chemistry B


Effect of Liposomal Encapsulation on the Chemical Exchange Properties of Diamagnetic CEST Agents
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpcb.9b02280

Vibrational Coupling on Stepwise Hydrogen Bond Formation of Amide I
DOI: 10.1021/acs.jpcb.9b05118

Studying Hemoglobin and a Bare Metal–Porphyrin Complex Immobilized on Functionalized Silicon Surfaces Using Synchrotron X-ray Reflectivity
DOI: 10.1021/acs.jpcb.9b03085

Dynamics of Water Molecules and Ions in Concentrated Lithium Chloride Solutions Probed with Ultrafast 2D IR Spectroscopy
DOI: 10.1021/acs.jpcb.9b06038

Force Field Comparison of GM1 in a DOPC Bilayer Validated with AFM and FRET Experiments
DOI: 10.1021/acs.jpcb.9b05095

The Journal of Physical Chemistry C


Critical Knowledge Gaps in Mass Transport through Single-Digit Nanopores: A Review and Perspective
DOI: 10.1021/acs.jpcc.9b02178

Hydrodeoxygenation of Guaiacol as a Bio-Oil Model Compound over Pillared Clay-Supported Nickel–Molybdenum Catalysts
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpcc.9b01890

Exploring the Catalytic Properties of Unsupported and TiO2-Supported Cu5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpcc.9b06620

Photocatalytic Water Splitting Cycle in a Dye-Catalyst Supramolecular Complex: Ab Initio Molecular Dynamics Simulations
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpcc.9b06401

Effect of Surface Ligand on Charge Separation and Recombination at CsPbI3 Perovskite Quantum Dot/TiO2 Interfaces
DOI: 10.1021/acs.jpcc.9b06725

The Journal of Physical Chemistry Letters


Relaxation Dynamics and Genuine Properties of the Solvated Electron in Neutral Water Clusters
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpclett.9b01802

Band Gap Engineering in Cs2(NaxAg1–x)BiCl6 Double Perovskite Nanocrystals
DOI: 10.1021/acs.jpclett.9b02168

Nuclear Quantum Effects in Hydrophobic Nanoconfinement
Open Access Through ACS AuthorChoice
DOI: 10.1021/acs.jpclett.9b01835

A Machine Learning Approach for Prediction of Rate Constants
DOI: 10.1021/acs.jpclett.9b01810

Artificial Intelligence Approach To Investigate the Longevity Drug
DOI: 10.1021/acs.jpclett.9b02220

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