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Top Articles

#TitleJournalYearCitations
1Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on aluminaNature Communications2014498
2Permutation invariant polynomial neural network approach to fitting potential energy surfacesJournal of Chemical Physics2013393
3Organocatalytic Enantioselective Cascade Michael-Alkylation Reactions:  Synthesis of Chiral Cyclopropanes and Investigation of Unexpected Organocatalyzed Stereoselective Ring Opening of CyclopropanesJournal of the American Chemical Society2007335
4Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approachInternational Reviews in Physical Chemistry2016316
5First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO OxidationJournal of Physical Chemistry C2013300
6Plk1-dependent phosphorylation of FoxM1 regulates a transcriptional programme required for mitotic progressionNature Cell Biology2008290
7Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systemsJournal of Chemical Physics2013269
8Iron/iron oxide core/shell nanoparticles for magnetic targeting MRI and near-infrared photothermal therapyBiomaterials2014264
9Thermally Stable and Regenerable Platinum–Tin Clusters for Propane Dehydrogenation Prepared by Atom Trapping on CeriaAngewandte Chemie - International Edition2017262
10J-Aggregate Behavior in Poly-3-hexylthiophene NanofibersJournal of Physical Chemistry Letters2012258
11A Highly Selective Fluorescent Probe for ThiophenolsAngewandte Chemie - International Edition2007257
12Exploiting chemistry and molecular systems for quantum information scienceNature Reviews Chemistry2020247
13Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst SupportACS Catalysis2019233
14Quantum dynamics of complex-forming bimolecular reactionsInternational Reviews in Physical Chemistry2012216
15Design of Effective Catalysts for Selective Alkyne Hydrogenation by Doping of Ceria with a Single-Atom PromotorJournal of the American Chemical Society2018204
16The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made SimpleAccounts of Chemical Research2014196
17Vibrationally Promoted Dissociation of Water on Ni(111)Science2014175
18Hollow Zeolitic Imidazolate Framework Nanospheres as Highly Efficient Cooperative Catalysts for [3+3] Cycloaddition ReactionsJournal of the American Chemical Society2014171
19The Enzyme Function InitiativeBiochemistry2011169
20Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) modelJournal of Chemical Physics2013166
21Water-Medium and Solvent-Free Organic Reactions over a Bifunctional Catalyst with Au Nanoparticles Covalently Bonded to HS/SO3H Functionalized Periodic Mesoporous OrganosilicaJournal of the American Chemical Society2011159
22Enantioselective Organocatalytic Double Michael Addition ReactionsOrganic Letters2007151
23Highly Enantioselective Aldol Reactions Catalyzed by a Recyclable Fluorous (S) Pyrrolidine Sulfonamide on WaterOrganic Letters2008151
24Resonance Chemical Imaging of Polythiophene/Fullerene Photovoltaic Thin Films: Mapping Morphology-Dependent Aggregated and Unaggregated C═C SpeciesJournal of the American Chemical Society2009151
25Recent Advances in Quantum Dynamics of Bimolecular ReactionsAnnual Review of Physical Chemistry2016149
26Copper-catalysed cross-coupling: an untapped potentialOrganic and Biomolecular Chemistry2015148
27Catalytic Asymmetric oxa-Michael−Michael Cascade for Facile Construction of Chiral Chromans via an Aminal IntermediateOrganic Letters2009147
28Dynamic Kinetic Resolution of Biaryl Lactones via a Chiral Bifunctional Amine Thiourea-Catalyzed Highly Atropo-enantioselective TransesterificationJournal of the American Chemical Society2016144
29Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivityChemical Society Reviews2016140
30Organocatalytic enantioselective β-functionalization of aldehydes by oxidation of enamines and their application in cascade reactionsNature Communications2011136
31MnX (X = P, As) monolayers: a new type of two-dimensional intrinsic room temperature ferromagnetic half-metallic material with large magnetic anisotropyNanoscale2019136
32State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitorsChemical Society Reviews2015132
33Highly Enantioselective Organocatalytic Conjugate Addition of Nitromethane to α,β‐Unsaturated Aldehydes: Three‐Step Synthesis of Optically Active BaclofenAdvanced Synthesis and Catalysis2007129
34Rational design of a highly selective and sensitive fluorescent PET probe for discrimination of thiophenols and aliphatic thiolsChemical Communications2010129
35Ligand Modification Transforms a Catalase Mimic into a Water Oxidation CatalystAngewandte Chemie - International Edition2014128
36High-Fidelity Potential Energy Surfaces for Gas-Phase and Gas–Surface Scattering Processes from Machine LearningJournal of Physical Chemistry Letters2020127
37Copper-Catalyzed Suzuki–Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of IntermediatesOrganic Letters2014126
38Nonadiabatic Tunneling in Photodissociation of PhenolJournal of the American Chemical Society2016126
39Enzyme Promiscuity: Engine of Evolutionary InnovationJournal of Biological Chemistry2014125
40Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) ReactionsJournal of the American Chemical Society2013124
41Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactionsJournal of Chemical Physics2014120
42Panoramic view of a superfamily of phosphatases through substrate profilingProceedings of the National Academy of Sciences of the United States of America2015118
43Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coliJournal of Biological Inorganic Chemistry2008116
44Mode selectivity in methane dissociative chemisorption on Ni(111)Chemical Science2013115
45Visible‐Light‐Promoted Nickel‐ and Organic‐Dye‐Cocatalyzed Formylation Reaction of Aryl Halides and Triflates and Vinyl Bromides with Diethoxyacetic Acid as a Formyl EquivalentAngewandte Chemie - International Edition2017115
46Characterization of Purified New Delhi Metallo-β-lactamase-1Biochemistry2011114
47Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical ApplicationsJournal of Physical Chemistry A2016113
48Chiral Amine Thiourea‐Promoted Enantioselective Domino Michael‐Aldol Reactions between 2‐Mercaptobenzaldehydes and MaleimidesAdvanced Synthesis and Catalysis2007111
49The effect of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane charge transfer dopants on the conformation and aggregation of poly(3-hexylthiophene)Journal of Materials Chemistry C2013108
50Accurate nonadiabatic dynamicsPhysical Chemistry Chemical Physics2016104