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Name：FAN Jianfen Title：Professor Contacts：
Tel: 86-512-65882890 (Lab)
Email:
jffan@suda.edu.cn
Group Website |
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Professor (Physical Chemistry)
B.S.
NanjingUniversity
of Science
and
Technology (1986)
M.S. NanjingUniversity 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 influencesof 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. B2010, 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 onthe 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, 1616, 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 ofa-substituents in aliphatic aldehydes on the enantio-selectivities of aldol reactions,J. F. Fan*.,L. J. He, Y. P. Sun,Chirality2008, 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 theorigin of the enantioselectivityof (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 ofb-aminoketones,J. F. Fan*, Q. X. Wang, Y. X. Lu,J. Mol. Struct. (Theochem)2004, 674, 49.
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