厦门大学化学化工学院结构化学研究所导师介绍：陈振华

  陈振华
  厦门大学卢嘉锡楼230室
  电话: 0592-2182332
  email: zhhchen@xmu.edu.cn
  更新个人信息
  个人简历：
  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
  研究兴趣：
  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
  近期主要代表论著：
  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.
  11. Zhenhua Chen, Clemence Corminboeuf and Yirong Mo*, Direct Evaluation of the Hyperconjugative Interactions in 1,1,1-Trihaloethane (CH3CX3, X = F, Cl and Br), J. Phys. Chem. A. 2013, 118(31), 5743-5747.
  12. Zhenhua Chen, Jinshuai Song, Sason Shaik, Philippe C. Hiberty and Wei Wu*, Valence Bond Perturbation Theory. A Valence Bond Method that Incorporates Perturbation Theory, J. Phys. Chem. A. 2009, 113, 11560-11569.
  13. Zhenhua Chen, Qian’er Zhang and Wei Wu*, A new algorithm for inactive orbital optimization in valence bond theory. Sci. China Ser. B-Chem. 2009, 52(11), 1879-1884.
  13b. 陈振华, 张乾二, 吴玮, 价键方法中的非活性轨道优化新算法, 中国科学: B 辑 (11), 1424-1429 (2009).
  14. Zhenhua Chen, Jinshuai Song and Wei Wu*, A Valence Bond Approach Based on Lewis Structures. J. Theor. Comput. Chem., 2008, 7(4), 655-688.
  15. Xun Chen, Zhenhua Chen and Wei Wu*, Nonorthogonal Orbital Based N-body Reduced Density Matrices and Their Applications to Valence Bond Theory IV. The automatic implementation of the Hessian based VBSCF method, J. Chem. Phys. 2014, 141, 194113.
  16. Xiping Gong, Zhenhua Chen and Wei Wu*, The application of cholesky decomposition in valence bond calculation, J. Comput. Chem., 2016, 37, 2157-2162.
  17. Changwei Wang, Zhenhua Chen, Wei Wu and Yirong Mo*, How the Generalized Anomeric Effect Influences the Conformational Preference, Chem. Eur. J. 2013, 19(4), 1436.
  18. Jianfeng Jia, Hai-Shun Wu*, Zhenhua Chen and Yirong Mo*, Elucidation of the Forces Governing the Stereochemistry of Biphenyl, Eur. J. Org. Chem. 2013, 2013, 611.
  19. Rashel M. Mokambe, Jason M. Hicks, Dana Kerker, Wanyi Jiang, Daniel Theis, Zhenhua Chen, Yuriy G. Khait, and Mark R. Hoffmann*, GVVPT2 Multireference Perturbation Theory Study of Selenium Oxides, Mol. Phys. 2013, 111(9-11), 1078-1091.
  20. Fuming Ying, Peifeng Su, Zhenhua Chen, Sason Shaik and Wei Wu*, DFVB: A density functional based valence bond method, J. Chem. Theory Comput., 2012, 8(5), 1608–1615.
  21. Sason Shaik*, Zhenhua Chen, Wei Wu, Amnon Stanger, David Danovich and Philippe C. Hiberty, An Excursion from Normal to Inverted C-C Bonds Shows a Clear Demarcation between Covalent and Charge Shift C-C Bonds. Chem. Phys. Chem. 2009, 10, 2658-2669.