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Top Articles

#TitleJournalYearCitations
1Homogeneous Catalysis for Sustainable Energy: Hydrogen and Methanol Economies, Fuels from Biomass, and Related TopicsChemical Reviews2022223
2Theory of Chirality Induced Spin Selectivity: Progress and ChallengesAdvanced Materials2022119
3The role of chalcogen vacancies for atomic defect emission in MoS2Nature Communications202194
4DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials sciencePhysical Chemistry Chemical Physics202291
5Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticlesNature Nanotechnology202283
6Effect of Surface Ligands in Perovskite Nanocrystals: Extending in and Reaching outAccounts of Chemical Research202172
7Band gaps of crystalline solids from Wannier-localization–based optimal tuning of a screened range-separated hybrid functionalProceedings of the National Academy of Sciences of the United States of America202149
8Physiology and Physical Chemistry of Bile AcidsInternational Journal of Molecular Sciences202147
9What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test SuiteJournal of Chemical Theory and Computation202145
10Recent Advances in Zwitterionic Hydrogels: Preparation, Property, and Biomedical ApplicationGels202245
11Optical absorption of interlayer excitons in transition-metal dichalcogenide heterostructuresScience202242
12Malaria Pigment Crystals: The Achilles′ Heel of the Malaria ParasiteChemMedChem202136
13Efficient Base-Free Aqueous Reforming of Methanol Homogeneously Catalyzed by Ruthenium Exhibiting a Remarkable Acceleration by Added Catalytic ThiolJournal of the American Chemical Society202136
14Hydration Lubrication in Biomedical Applications: From Cartilage to HydrogelsAccounts of Materials Research202233
15Intra-Articular Drug Delivery for Osteoarthritis TreatmentPharmaceutics202132
16Are Defects in Lead-Halide Perovskites Healed, Tolerated, or Both?ACS Energy Letters202131
17Atomically resolved single-molecule triplet quenchingScience202127
18The MOBH35 Metal–Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation RegimesJournal of Chemical Theory and Computation202227
19Resolving the Controversy in Biexciton Binding Energy of Cesium Lead Halide Perovskite Nanocrystals through Heralded Single-Particle SpectroscopyACS Nano202126
20Sustainable catalysis with fluxional acridine-based PNP pincer complexesChemical Communications202224
21Mesoscopic sliding ferroelectricity enabled photovoltaic random access memory for material-level artificial vision systemNature Communications202224
22Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channelsNature Structural and Molecular Biology202223
23Self-healable and super-stretchable conductive elastomeric nanocomposites for efficient thermal management characteristics and electromagnetic interference shieldingSynthetic Metals202323
24Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride CarbonylsJournal of Physical Chemistry A202122
25Spatiotemporal Regulation of Hydrogel Actuators by Autocatalytic Reaction NetworksAdvanced Materials202222
26Signatures of Dimensionality and Symmetry in Exciton Band Structure: Consequences for Exciton Dynamics and TransportNano Letters202121
27Revealing the complex self-assembly behaviour of sodium deoxycholate in aqueous solutionJournal of Colloid and Interface Science202120
28Dynamic Nuclear Polarization Solid-State NMR Spectroscopy for Materials ResearchAnnual Review of Materials Research202220
29Magnesium Pincer Complexes and Their Applications in Catalytic Semihydrogenation of Alkynes and Hydrogenation of Alkenes: Evidence for Metal–Ligand CooperationJournal of the American Chemical Society202220
30Halide perovskite dynamics at work: Large cations at 2D-on-3D interfaces are mobileProceedings of the National Academy of Sciences of the United States of America202219
31Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expressionNature Biotechnology202218
32Light-induced beneficial ion accumulation for high-performance quasi-2D perovskite solar cellsEnergy and Environmental Science202218
33Micro and nano-scale compartments guide the structural transition of silk protein monomers into silk fibersNature Communications202218
34Continuum Crystallization Model Derived from Pharmaceutical Crystallization MechanismsACS Central Science202117
35Mechanism and Timescales of Reversible p‐Doping of Methylammonium Lead Triiodide by OxygenAdvanced Materials202117
36Poly-phosphocholination of liposomes leads to highly-extended retention time in mice jointsJournal of Materials Chemistry B202217
37Protein nanofibril design via manipulation of hydrogen bondsCommunications Chemistry202116
38Immunotherapy for Triple-Negative Breast CancerPharmaceutics202116
39Molecular Transition Metal Oxide Electrocatalysts for the Reversible Carbon Dioxide–Carbon Monoxide TransformationAngewandte Chemie - International Edition202215
40Dynamic Nuclear Polarization in battery materialsSolid State Nuclear Magnetic Resonance202215
41Nanotubes from Ternary WS2(1–x)Se2x Alloys: Stoichiometry Modulated Tunable Optical PropertiesJournal of the American Chemical Society202215
42Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 DatabaseJournal of Chemical Theory and Computation202215
43Versatile non-luminescent color palette based on guest exchange dynamics in paramagnetic cavitandsNature Communications202114
44Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and ApproximationsJournal of Physical Chemistry Letters202214
45Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive BenchmarkJournal of Physical Chemistry Letters202214
46Controlled Selectivity through Reversible Inhibition of the Catalyst: Stereodivergent Semihydrogenation of AlkynesJournal of the American Chemical Society202214
47Biocompatible Platinum Nanoclusters Prepared Using Bitter Gourd Polysaccharide for Colorimetric Detection of Ascorbic AcidBiomolecules202113
48Peroxidase-Like Platinum Clusters Synthesized by Ganoderma lucidum Polysaccharide for Sensitively Colorimetric Detection of DopamineMolecules202113
49Autocatalytic and oscillatory reaction networks that form guanidines and products of their cyclizationNature Communications202113
50pH‐Responsive Capsules with a Fibril Scaffold Shell Assembled from an Amyloidogenic PeptideSmall202113