2.1K
Articles
64.5K
Citations
4
avg. Impact Factor
103
h-index

Most Cited Articles of Department of Chemistry in 2020

TitleJournalYearCitations
Present and Future of Surface-Enhanced Raman ScatteringACS Nano20201K
Accurate and Numerically Efficient rSCAN Meta-Generalized Gradient ApproximationJournal of Physical Chemistry Letters202087
Properties and Promise of Catenated Nitrogen Systems As High-Energy-Density MaterialsChemical Reviews202061
Repurposing human kinase inhibitors to create an antibiotic active against drug-resistant Staphylococcus aureus, persisters and biofilmsNature Chemistry202036
Hierarchically 3D Porous Ag Nanostructures Derived from Silver Benzenethiolate Nanoboxes: Enabling CO Reduction with a Near-Unity Selectivity and Mass-Specific Current Density over 500 A/gNano Letters202029
Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica SurfacesJournal of the American Chemical Society202029
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome202028
Dextran-Coated Cerium Oxide Nanoparticles: A Computed Tomography Contrast Agent for Imaging the Gastrointestinal Tract and Inflammatory Bowel DiseaseACS Nano202026
Direct C-H α-Arylation of Enones with ArI(OCR) ReagentsJournal of the American Chemical Society202024
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistryJournal of Chemical Physics202022
Analysis of the Destabilization of Bacterial Membranes by Quaternary Ammonium Compounds: A Combined Experimental and Computational StudyChemBioChem202021
Nanovesicles displaying functional linear and branched oligomannose self-assembled from sequence-defined Janus glycodendrimersProceedings of the National Academy of Sciences of the United States of America202019
Plastid Transformation: How Does it Work? Can it Be Applied to Crops? What Can it Offer?International Journal of Molecular Sciences202018
Sample Mining and Data Mining: Combined Real-Time and Retrospective Approaches for the Identification of Emerging Novel Psychoactive SubstancesJournal of Forensic Sciences202017
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximationJournal of Chemical Physics202016
Seed-Assisted Growth of TiO Nanowires by Thermal Oxidation for Chemical Gas SensingNanomaterials202013
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics. 1. Theory, Algorithm, and PerformanceJournal of Chemical Theory and Computation202013
First-Principles Calculation of Water p Using the Newly Developed SCAN FunctionalJournal of Physical Chemistry Letters202012
Adaptive Markov state model estimation using short reseeding trajectoriesJournal of Chemical Physics202011
The transition between active and inactive conformations of Abl kinase studied by rock climbing and MilestoningBiochimica Et Biophysica Acta - General Subjects202011
Metabolic profiling of synthetic cannabinoid 5F-ADB and identification of metabolites in authentic human blood samples via human liver microsome incubation and ultra-high-performance liquid chromatography/high-resolution mass spectrometryRapid Communications in Mass Spectrometry202011
Modeling of Diffusion of Acetone in UiO-66Journal of Physical Chemistry C202010
Ni- and Co-Substituted Metallic MoS2 for the Alkaline Hydrogen Evolution ReactionChemElectroChem20209
Lone Pair Rotational Dynamics in SolidsPhysical Review Letters20209
Reconciling Simulated Ensembles of Apomyoglobin with Experimental Hydrogen/Deuterium Exchange Data Using Bayesian Inference and Multiensemble Markov State ModelsJournal of Chemical Theory and Computation20209