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Jun Zhang
Jun Zhang
Shenzhen Bay Laboratory
在 szbl.ac.cn 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
Efficient Evaluation of Electrostatic Potential with Computerized Optimized Code
J Zhang, T Lu
Physical Chemistry Chemical Physics 23 (36), 20323-20328, 2021
8312021
ABCluster: the artificial bee colony algorithm for cluster global optimization
J Zhang, M Dolg
Physical Chemistry Chemical Physics 17 (37), 24173-24181, 2015
4982015
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
3522016
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
1052014
libreta: Computerized Optimization and Code Synthesis for Electron Repulsion Integral Evaluation
J Zhang
Journal of Chemical Theory and Computation 14 (2), 572-587, 2018
1002018
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
992016
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
962016
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
662020
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
582020
Global optimization of chemical cluster structures: Methods, applications, and challenges
J Zhang, VA Glezakou
International Journal of Quantum Chemistry 121 (7), e26553, 2020
462020
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
452015
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
372014
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
372013
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
322020
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
302019
Dispersion Interaction Stabilizes Sterically Hindered Double Fullerenes
J Zhang, M Dolg
Chemistry: A European Journal 20 (43), 13909-13912, 2014
272014
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
262017
Selective Catalytic Reduction of NO x with NH3 over Cu/SSZ-13: Elucidating Dynamics of Cu Active Sites with In Situ UV–Vis Spectroscopy and DFT Calculations
Y Zhang, J Zhang, H Wang, W Yang, C Wang, Y Peng, J Chen, J Li, F Gao
The Journal of Physical Chemistry C 126 (20), 8720-8733, 2022
242022
Density Functional Studies of Coenzyme NADPH and Its Oxidized Form NADP+: Structures, UV–Vis Spectra, and the Oxidation Mechanism of NADPH
X Cao, L Wu, J Zhang, M Dolg
Journal of computational chemistry 41 (4), 305-316, 2020
222020
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
212015
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