陈振华
副教授
个人简介
2001/09-2005/07,厦门大学化学本科 2005/09-2010/07,厦门大学物理化学博士 2013/10至今,厦门大学化学化工学院 副教授 2012/07-2013/9,Western Michigan University 博士后 2010/07-2012/07,University of North Dakota 博士后
研究领域
从头算电子结构的量子化学理论计算方法、算法和程序研发及其在电子转移、能量转移反应机理计算研究中的应用
近期论文
1. Xuhui Lin, Zhenhua Chen* and Wei Wu, The Driving Force For Π-Bond Localization And Bond Alternation In Trisannelated Benzenes, Phys. Chem. Chem. Phys., 2017, 19, 3019-3027. 2. Chen Zhou, Zhenhua Chen* and Wei Wu, A comparative study on seniority-based MO and VB calculations of the singlet and triplet energy gaps of open-shell molecules, Comp. Theor. Chem., 2017, 116, 86-91. 3. Zhenhua Chen, Xun Chen and Wei Wu*, Nonorthogonal Orbital Based N-body Reduced Density Matrices and Their Applications to Valence Bond Theory III: Internally Contracted Second-Order Valence Bond Perturbation Theory, J. Chem. Phys. 2014, 141, 134118.17. 4. Zhenhua Chen, Xun Chen and Wei Wu*, Nonorthogonal Orbital Based N-Body Reduced Density Matrices And Their Applications To Valence Bond Theory II: An Efficient Algorithm For Matrix Elements And Analytical Energy Gradients In VBSCF Method, J. Chem. Phys. 2013, 138, 164120. 5. Zhenhua Chen, Xun Chen and Wei Wu*, Nonorthogonal Orbital Based N-body Reduced Density Matrices And Their Applications To Valence Bond Theory I: Hamiltonian Matrix Elements Between Internally Contracted Excited Valence Bond Wave Functions, J. Chem. Phys. 2013, 138, 164119. 6. Zhenhua Chen, Chen Zhou and Wei Wu*, Seniority Number in Valence Bond Theory, J. Chem. Theory Comput., 2015, 11, 4102-4108. 7. Zhenhua Chen and Mark R. Hoffmann*, Orbitally Invariant Internally Contracted Multireference Unitary Coupled Cluster Theory and Its Perturbative Approximation: Theory and Test Calculations of Second Order Approximation, J. Chem. Phys. 2012, 137, 014108. 8. Zhenhua Chen and Yirong Mo*, Electron Transfer in Electrophilic Aromatic Nitration and Nitrosation: Computational Evidence for the Marcus Inverted Region, J. Chem. Theory Comput. 2013, 9(10), 4428-4435. 9. Zhenhua Chen, Fuming Ying, Xun Chen, Jinshuai Song, Peifeng Su, Lingchun Song, Yirong Mo, Qianer Zhang and Wei Wu*, XMVB 2.0: A new version of Xiamen valence bond program, Int. J. Quantum Chem., 2015, 731–737. 10. Jinshuai Song, Zhenhua Chen*, Sason Shaik and Wei Wu*, An Efficient Algorithm for Complete Active Space Valence Bond Self-Consistent Field Calculation, J. Comput. Chem. 2013, 34(1), 38.