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WU Jianming Physical Chemistry, Associate Professor

Email: jianmingwu@fudan.edu.cn
Office Location: Room A3025, Chemistry Building, Department of Chemistry, Fudan University 2005 Songhu Road, Yangpu District, Shanghai 200438, China
Tel: 86-21-31242032
Website (Research Group URL): www.xdft.org

  • Research Interests

  • Academic Appointments

  • Prizes and awards

  • Biography

  • Teaching

  • Key Publications

    • Density functional theory and its numeric correction models

    • Cheminformatics



    • Associate Professor of Fudan University from 2011

    • Senior Engineer of PCOSS in Xiamen University (2008~2011)

    • Staff member and Engineer of PCOSS in Xiamen University (1998~2008)

    • Sep. 2002 to Apr. 2008, Xiamen University, Dr. Sc. degree

    • Sep. 1995 to Jul. 1998, Xiamen University, M. Sc. degree

    • Sep. 1991 to Jul. 1995, Xiamen University, B.Sc. degree

    • Physical Chemistry AI

    1. Calculations of Ionization Energies and Electron Affinities for Atoms and Molecules: A Comparative Study with Different Methods Front. Chem. China, 6(4) (2011), 269-279

    2. Theoretical Studies on Thermochemistry for Conversion of 5-Chloromethylfurfural into Valuable Chemicals, J. Phys. Chem. A, 115 (46) (2011), 13628–13641

    3. Accurate Bond Dissociation Enthalpies by Using Doubly Hybrid XYG3 Functional, J. Comput. Chem., 32 (2011), 1824–1838

    4. The X1s Method for Accurate Bond Dissociation Energies, ChemPhysChem, 11(2010), 2561-2567

    5. Extending the reliability and applicability of B3LYP, Chem. Commun., 46(2010), 3057-3070. (Feature Article)

    6. Trends in R-X Bond Dissociation Energies (R• =Me, Et, i-Pr, t-Bu, X• =H, Me, Cl, OH), J. Chem. Theory Comput., 6(5), (2010) 1447-1454

    7. Accurate Prediction of Heats of Formation by a Combined Method of B3LYP and Neural–network Correction, J. Comput. Chem., 30(9), (2009) 1424-1444

    8. Improving the B3LYP bond energies by using the X1 method, J. Chem. Phys., 129(2008) 164103

    9. The X1 method for accurate and efficient prediction of heats of formation, J. Chem. Phys., 127(2007) 214105

Address: Chemistry Building, Department of Chemistry, Fudan University
2005 Songhu Road, Yangpu District, Shanghai 200438, China  Tel: 86-21-31242791
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