| Efficient Evaluation of Electrostatic Potential with Computerized Optimized Code J Zhang, T Lu Physical Chemistry Chemical Physics 23 (36), 20323-20328, 2021 | 513 | 2021 |
| ABCluster: the artificial bee colony algorithm for cluster global optimization J Zhang, M Dolg Physical Chemistry Chemical Physics 17 (37), 24173-24181, 2015 | 427 | 2015 |
| Global optimization of clusters of rigid molecules using the artificial bee colony algorithm J Zhang, M Dolg Physical Chemistry Chemical Physics 18 (4), 3003-3010, 2016 | 307 | 2016 |
| Understanding Lanthanoid(III) Hydration Structure and Kinetics by Insights from Energies and Wave functions J Zhang, N Heinz, M Dolg Inorganic chemistry 53 (14), 7700-7708, 2014 | 100 | 2014 |
| Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions J Li, S Zhou, J Zhang, M Schlangen, T Weiske, D Usharani, S Shaik, ... Journal of the American Chemical Society 138 (35), 11368-11377, 2016 | 91 | 2016 |
| Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+ (X, Y = Al, Si, Mg): Competition … J Li, S Zhou, J Zhang, M Schlangen, T Weiske, D Usharani, S Shaik, ... Journal of the American Chemical Society 138 (25), 7973-7981, 2016 | 90 | 2016 |
| libreta: Computerized Optimization and Code Synthesis for Electron Repulsion Integral Evaluation J Zhang Journal of Chemical Theory and Computation 14 (2), 572-587, 2018 | 85 | 2018 |
| General Protocol for the Accurate Prediction of Molecular 13C/1H NMR Chemical Shifts via Machine Learning Augmented DFT P Gao, J Zhang, Q Peng, J Zhang, VA Glezakou Journal of Chemical Information and Modeling 60 (8), 3746-3754, 2020 | 55 | 2020 |
| NWPEsSe: an adaptive-learning global optimization algorithm for nanosized cluster systems J Zhang, VA Glezakou, R Rousseau, MT Nguyen Journal of Chemical Theory and Computation 16 (6), 3947-3958, 2020 | 45 | 2020 |
| Accurate quantum chemical modelling of the separation of Eu 3+ from Am 3+/Cm 3+ by liquid–liquid extraction with Cyanex272 X Cao, J Zhang, D Weissmann, M Dolg, X Chen Physical Chemistry Chemical Physics 17 (32), 20605-20616, 2015 | 45 | 2015 |
| Global optimization of chemical cluster structures: Methods, applications, and challenges J Zhang, VA Glezakou International Journal of Quantum Chemistry 121 (7), e26553, 2020 | 39 | 2020 |
| Actinoid(III) Hydration - First Principle Gibbs Energies of Hydration Using High Level Correlation Methods N Heinz, J Zhang, M Dolg Journal of Chemical Theory and Computation 10 (12), 5593-5598, 2014 | 36 | 2014 |
| Third-Order Incremental Dual-Basis Set Zero-Buffer Approach: An Accurate and Efficient Way To Obtain CCSD and CCSD (T) Energies J Zhang, M Dolg Journal of Chemical Theory and Computation 9 (7), 2992-3003, 2013 | 34 | 2013 |
| Dispersion Interaction Stabilizes Sterically Hindered Double Fullerenes J Zhang, M Dolg Chemistry: A European Journal 20 (43), 13909-13912, 2014 | 27 | 2014 |
| Influence of Ag metal dispersion on the thermal conversion of ethanol to butadiene over Ag-ZrO2/SiO2 catalysts SA Akhade, A Winkelman, VL Dagle, L Kovarik, SF Yuk, MS Lee, J Zhang, ... Journal of catalysis 386, 30-38, 2020 | 26 | 2020 |
| Chemical transformations of captured CO₂ into cyclic and polymeric carbonates J Kothandaraman, J Zhang, VA Glezakou, MT Mockb, DJ Heldebranta Journal of CO₂ Utilization 32, 196-201, 2019 | 25 | 2019 |
| Structures and energetics of hydrated deprotonated cis-pinonic acid anion clusters and their atmospheric relevance GL Hou, J Zhang, M Valiev, XB Wang Physical Chemistry Chemical Physics 19 (16), 10676-10684, 2017 | 22 | 2017 |
| 1,6-Naphthodipyrrolidone-based donor–acceptor polymers with low bandgap H Zhang, S Ying, B Tieke, J Zhang, W Yang Polymer 60, 215-220, 2015 | 19 | 2015 |
| Origins of the Enantioselectivity of a Palladium Catalyst with BINOL–phosphoric Acid Ligands J Zhang Organic & Biomolecular Chemistry 16 (43), 8064-8071, 2018 | 17 | 2018 |
| Approaching the complete basis set limit of CCSD(T) for large systems by the third-order incremental dual-basis set zero-buffer F12 method J Zhang, M Dolg The Journal of Chemical Physics 140, 044114, 2014 | 17 | 2014 |
Michael DolgTheoretical Chemistry, University of Cologne在 uni-koeln.de 的电子邮件经过验证
