# | Title | Journal | Year | Citations |
---|
1 | Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina | Nature Communications | 2014 | 498 |
2 | Permutation invariant polynomial neural network approach to fitting potential energy surfaces | Journal of Chemical Physics | 2013 | 393 |
3 | Organocatalytic Enantioselective Cascade Michael-Alkylation Reactions: Synthesis of Chiral Cyclopropanes and Investigation of Unexpected Organocatalyzed Stereoselective Ring Opening of Cyclopropanes | Journal of the American Chemical Society | 2007 | 335 |
4 | Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach | International Reviews in Physical Chemistry | 2016 | 316 |
5 | First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation | Journal of Physical Chemistry C | 2013 | 300 |
6 | Plk1-dependent phosphorylation of FoxM1 regulates a transcriptional programme required for mitotic progression | Nature Cell Biology | 2008 | 290 |
7 | Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems | Journal of Chemical Physics | 2013 | 269 |
8 | Iron/iron oxide core/shell nanoparticles for magnetic targeting MRI and near-infrared photothermal therapy | Biomaterials | 2014 | 264 |
9 | Thermally Stable and Regenerable Platinum–Tin Clusters for Propane Dehydrogenation Prepared by Atom Trapping on Ceria | Angewandte Chemie - International Edition | 2017 | 262 |
10 | J-Aggregate Behavior in Poly-3-hexylthiophene Nanofibers | Journal of Physical Chemistry Letters | 2012 | 258 |
11 | A Highly Selective Fluorescent Probe for Thiophenols | Angewandte Chemie - International Edition | 2007 | 257 |
12 | Exploiting chemistry and molecular systems for quantum information science | Nature Reviews Chemistry | 2020 | 247 |
13 | Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst Support | ACS Catalysis | 2019 | 233 |
14 | Quantum dynamics of complex-forming bimolecular reactions | International Reviews in Physical Chemistry | 2012 | 216 |
15 | Design of Effective Catalysts for Selective Alkyne Hydrogenation by Doping of Ceria with a Single-Atom Promotor | Journal of the American Chemical Society | 2018 | 204 |
16 | The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made Simple | Accounts of Chemical Research | 2014 | 196 |
17 | Vibrationally Promoted Dissociation of Water on Ni(111) | Science | 2014 | 175 |
18 | Hollow Zeolitic Imidazolate Framework Nanospheres as Highly Efficient Cooperative Catalysts for [3+3] Cycloaddition Reactions | Journal of the American Chemical Society | 2014 | 171 |
19 | The Enzyme Function Initiative | Biochemistry | 2011 | 169 |
20 | Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model | Journal of Chemical Physics | 2013 | 166 |
21 | Water-Medium and Solvent-Free Organic Reactions over a Bifunctional Catalyst with Au Nanoparticles Covalently Bonded to HS/SO3H Functionalized Periodic Mesoporous Organosilica | Journal of the American Chemical Society | 2011 | 159 |
22 | Enantioselective Organocatalytic Double Michael Addition Reactions | Organic Letters | 2007 | 151 |
23 | Highly Enantioselective Aldol Reactions Catalyzed by a Recyclable Fluorous (S) Pyrrolidine Sulfonamide on Water | Organic Letters | 2008 | 151 |
24 | Resonance Chemical Imaging of Polythiophene/Fullerene Photovoltaic Thin Films: Mapping Morphology-Dependent Aggregated and Unaggregated C═C Species | Journal of the American Chemical Society | 2009 | 151 |
25 | Recent Advances in Quantum Dynamics of Bimolecular Reactions | Annual Review of Physical Chemistry | 2016 | 149 |
26 | Copper-catalysed cross-coupling: an untapped potential | Organic and Biomolecular Chemistry | 2015 | 148 |
27 | Catalytic Asymmetric oxa-Michael−Michael Cascade for Facile Construction of Chiral Chromans via an Aminal Intermediate | Organic Letters | 2009 | 147 |
28 | Dynamic Kinetic Resolution of Biaryl Lactones via a Chiral Bifunctional Amine Thiourea-Catalyzed Highly Atropo-enantioselective Transesterification | Journal of the American Chemical Society | 2016 | 144 |
29 | Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity | Chemical Society Reviews | 2016 | 140 |
30 | Organocatalytic enantioselective β-functionalization of aldehydes by oxidation of enamines and their application in cascade reactions | Nature Communications | 2011 | 136 |
31 | MnX (X = P, As) monolayers: a new type of two-dimensional intrinsic room temperature ferromagnetic half-metallic material with large magnetic anisotropy | Nanoscale | 2019 | 136 |
32 | State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors | Chemical Society Reviews | 2015 | 132 |
33 | Highly Enantioselective Organocatalytic Conjugate Addition of Nitromethane to α,β‐Unsaturated Aldehydes: Three‐Step Synthesis of Optically Active Baclofen | Advanced Synthesis and Catalysis | 2007 | 129 |
34 | Rational design of a highly selective and sensitive fluorescent PET probe for discrimination of thiophenols and aliphatic thiols | Chemical Communications | 2010 | 129 |
35 | Ligand Modification Transforms a Catalase Mimic into a Water Oxidation Catalyst | Angewandte Chemie - International Edition | 2014 | 128 |
36 | High-Fidelity Potential Energy Surfaces for Gas-Phase and Gas–Surface Scattering Processes from Machine Learning | Journal of Physical Chemistry Letters | 2020 | 127 |
37 | Copper-Catalyzed Suzuki–Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates | Organic Letters | 2014 | 126 |
38 | Nonadiabatic Tunneling in Photodissociation of Phenol | Journal of the American Chemical Society | 2016 | 126 |
39 | Enzyme Promiscuity: Engine of Evolutionary Innovation | Journal of Biological Chemistry | 2014 | 125 |
40 | Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) Reactions | Journal of the American Chemical Society | 2013 | 124 |
41 | Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactions | Journal of Chemical Physics | 2014 | 120 |
42 | Panoramic view of a superfamily of phosphatases through substrate profiling | Proceedings of the National Academy of Sciences of the United States of America | 2015 | 118 |
43 | Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli | Journal of Biological Inorganic Chemistry | 2008 | 116 |
44 | Mode selectivity in methane dissociative chemisorption on Ni(111) | Chemical Science | 2013 | 115 |
45 | Visible‐Light‐Promoted Nickel‐ and Organic‐Dye‐Cocatalyzed Formylation Reaction of Aryl Halides and Triflates and Vinyl Bromides with Diethoxyacetic Acid as a Formyl Equivalent | Angewandte Chemie - International Edition | 2017 | 115 |
46 | Characterization of Purified New Delhi Metallo-β-lactamase-1 | Biochemistry | 2011 | 114 |
47 | Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications | Journal of Physical Chemistry A | 2016 | 113 |
48 | Chiral Amine Thiourea‐Promoted Enantioselective Domino Michael‐Aldol Reactions between 2‐Mercaptobenzaldehydes and Maleimides | Advanced Synthesis and Catalysis | 2007 | 111 |
49 | The 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 C | 2013 | 108 |
50 | Accurate nonadiabatic dynamics | Physical Chemistry Chemical Physics | 2016 | 104 |