Name:FAN Jianfen
Title:Professor
Department:
Contacts:
Tel: 86-512-65882890 (Lab)
Email: jffan@suda.edu.cn

Group Website
Professor (Physical Chemistry)
B.S. Nanjing University of Science and Technology (1986)
M.S. Nanjing University of Science and Technology (1989)
Ph.D. Nanjing University of Science and Technology (1997)
 
Research Interests: molecular dynamic simulation on peptide structures and properties of peptide nanotubes; theoretical study on the reaction mechanisms of organic synthesis.
 
Representative Publications
1. The Relationship between the Permeation-Diffusion Parameters for a Single-file Channel,J. Liu, J. F. Fan*, Chinese Phys. Lett. 2012, in press.
2. The influences of water solvent on the structures and stabilities of Na+AD conformers, J. F. Fan*, M. Tang, L. G. Qiao, et al. Amino Acids2010, 39, 685.
3.Water diffusion behavior and transportation properties in trans- membrane cyclic hexa-, octa- and deca-peptide nanotubes, J. Liu, J. F. Fan*, M. Tang, et al., J. Phys. Chem. B 2010, 114, 12183.
4. Molecular dynamics simulation for the structure of the water chain in a transmembrane peptide nanotube, J. Liu, J. F. Fan*, M. Tang, et al., J. Phys. Chem. A2010, 114, 2376.
5.Investigation on the micro-mechanisms of Al3+ interfering the reactivities of aspartic acid and its biological processes with Mg2+, J. F. Fan*, L. J. He, J. Liu,J. Mol. Model. 2010, 16 16, 1639.
6. DFT Study on the Role of Methanol Solvent in Morita–Baylis– Hillman Reaction, J. F. Fan*, Ch. H. Yang, L. J. He, Int. J. Quantum Chem. 2009, 109, 1311
7.Theoretical insight into the influences of a-substituents in aliphatic aldehydes on the enantio-selectivities of aldol reactions, J. F. Fan*., L. J. He, Y. P. Sun, Chirality 2008, 20, 54.
8.Poor enantioselectivity of the direct aldol reaction catalyzed by (S,S)-proline dipeptide: a density functional study, J. F. Fan*, L. F. Wu, F. M. Tao, Int. J. Quantum Chem. 2008, 108, 66.
9.DFT study on the origin of the enantioselectivity of (S)-4-hydroxylproline-catalyzed direct aldol reaction between acetone and 4-nitrobenz-aldehyde, J. F. Fan*, L. F. Wu,Y. P. Sun,Chinese J. Chem. 2007, 25, 472.
10. DFT study on the (S)-proline-catalyzed direct aldol reaction between acetone and 4-nitrobenzaldehyde. J. F. Fan*, L. F. Wu, Chinese J. Struct. Chem. 2006, 25(4), 433.
11. AM1 transition state modeling for the enantioselectivities in the chiral oxazaborolidine-catalyzed reductions of α- and β-aminoketones, J. F. Fan*, Y. X. Lu, Q. X. Wang, L. F. Wu, Chinese J. Chem. 2005, 23, 517.
12. Theoretical study on the optical activitities of the final products in the enantioselective reductions of b-aminoketones, J. F. Fan*, Q. X. Wang, Y. X. Lu,J. Mol. Struct. (Theochem) 2004, 674, 49.
13. Concentration dependence of ethene diffusion in H[al]zsm-5 studied by molecular dynamics, J. F. Fan*, Q. X. Wang, X. D. Gong, H. M. Xiao, J. Mol. Struct. (Theochem) 2003, 638, 129.
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