Jun Zhang

发表

Chemical transformations of captured CO2 into cyclic and polymeric carbonates

J. Kothandaraman, Jun Zhang, V. Glezakou, 2019, Journal of CO2 Utilization.

libreta: Computerized Optimization and Code Synthesis for Electron Repulsion Integral Evaluation.

Jun Zhang, Jun Zhang, 2018, Journal of chemical theory and computation.

Incremental Scheme: A General Approach For Electron Correlation Computations of Large Molecules

Jun Zhang, 2015 .

ABCluster: the artificial bee colony algorithm for cluster global optimization.

Jun Zhang, Michael Dolg, Jun Zhang, 2015, Physical chemistry chemical physics : PCCP.

Structure and Stability of the Ionic Liquid Clusters [EMIM]n[BF4]n+1- (n = 1 - 9): Implications for Electrochemical Separations.

R. Rousseau, Jun Zhang, V. Glezakou, 2020, The journal of physical chemistry letters.

Third-Order Incremental Dual-Basis Set Zero-Buffer Approach: An Accurate and Efficient Way To Obtain CCSD and CCSD(T) Energies.

Jun Zhang, M. Dolg, 2013, Journal of chemical theory and computation.

The Artificial Bee Colony Algorithm for Global Optimization of Nanosized Clusters

Jun Zhang, V. Glezakou, 2019 .

NWPEsSe: an Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems.

R. Rousseau, Jun Zhang, V. Glezakou, 2020, Journal of chemical theory and computation.

A General Protocol for the Accurate Predictions of Molecular 13C/1H NMR Chemical Shifts via Machine Learning

Jun Zhang, V. Glezakou, Peng Gao, 2019 .

Efficient evaluation of electrostatic potential with computerized optimized code.

Jun Zhang, T. Lu, 2021, Physical chemistry chemical physics : PCCP.

Herringbone Reconstruction-Mediated Assembly of 2-(Hydroxymethyl)benzimidazole Molecules on Au(111) Studied by Scanning Tunneling Microscope

Jun Zhang, Haitao Sun, Yuyi Zhang, 2022, Chemical Physics Letters.

Dispersion interaction stabilizes sterically hindered double fullerenes.

Jun Zhang, M. Dolg, 2014, Chemistry.

Global optimization of chemical cluster structures: Methods, applications, and challenges

Jun Zhang, Vassiliki Alexandra Glezakou, Jun Zhang, 2020 .

Global optimization of clusters of rigid molecules using the artificial bee colony algorithm.

Jun Zhang, Michael Dolg, Jun Zhang, 2016, Physical chemistry chemical physics : PCCP.

Density Functional Studies of Coenzyme NADPH and Its Oxidized Form NADP+: Structures, UV–Vis Spectra, and the Oxidation Mechanism of NADPH

Michael Dolg, Liangliang Wu, Jun Zhang, 2019, J. Comput. Chem..

Graphene Oxide as a Pb(II) Separation Medium: Has Part of the Story Been Overlooked?

R. Rousseau, V. Shutthanandan, Jun Zhang, 2021, JACS Au.

Understanding lanthanoid(III) hydration structure and kinetics by insights from energies and wave functions.

Jun Zhang, M. Dolg, Norah Heinz, 2014, Inorganic chemistry.

Accurate quantum chemical modelling of the separation of Eu(3+) from Am(3+)/Cm(3+) by liquid-liquid extraction with Cyanex272.

Jun Zhang, Xuebo Chen, M. Dolg, 2015, Physical chemistry chemical physics : PCCP.

Experimental determination and prediction of activity coefficients of RbCl in aqueous (RbCl + RbNO3) mixture at T = 298.15 K

S. Xia, Jun Zhang, Xingqi Huang, 2005 .

A Theoretical Study on Methane C-H Bond Activation by Bare [FeO]+/0/.

Jun Zhang, Xiaoli Sun, Jilai Li, 2017, The journal of physical chemistry. A.

Approaching the complete basis set limit of CCSD(T) for large systems by the third-order incremental dual-basis set zero-buffer F12 method.

Jun Zhang, M. Dolg, 2014, The Journal of chemical physics.

Third-Order Incremental Dual-Basis Set Zero-Buffer Approach for Large High-Spin Open-Shell Systems.

Jun Zhang, Michael Dolg, Jun Zhang, 2015, Journal of chemical theory and computation.

Underpotential deposition of Cu on Au(111) in sulfate-containing electrolytes: a theoretical and experimental study

A. Wiȩckowski, Y. Sung, Jun Zhang, 1995, cond-mat/9510054.

Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions.

S. Shaik, Jun Zhang, H. Schwarz, 2016, Journal of the American Chemical Society.

Labile capping bonds in lanthanide(III) complexes: shorter and weaker.

Jun Zhang, M. Dolg, 2015, The journal of physical chemistry. A.

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 between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer.

S. Shaik, Jun Zhang, H. Schwarz, 2016, Journal of the American Chemical Society.

Thermodynamic Study on Mixed Electrolyte KCl and K2SO4 Aqueous Systems from EMF Measurements at 298.15 K

S. Xia, Jun Zhang, Shi‐yang Gao, 2004 .

Actinoid(III) Hydration-First Principle Gibbs Energies of Hydration Using High Level Correlation Methods.

Jun Zhang, M. Dolg, Norah Heinz, 2014, Journal of chemical theory and computation.

A Theoretical Study on Methane C-H Bond Activation by Bare [FeO]+/0/.

Jun Zhang, Xiaoli Sun, Jilai Li, 2017, The journal of physical chemistry. A.

Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions.

S. Shaik, Jun Zhang, H. Schwarz, 2016, Journal of the American Chemical Society.