研究领域
多肽分子及多肽纳米管结构性能的分子动力学模拟研究，有机合成反应机理的量子化学研究等。
近期论文
The Relationship between the Permeation-Diffusion Parameters for a Single-file Channel,J. Liu, J. F. Fan*, Chinese Phys. Lett. 2012, in press.
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.
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.
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.
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.
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
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.
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.
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.
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.
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.
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.
Concentration dependence of ethene diffusion in H[al]zsm-5 studied by molecular dynamics, J. F. Fan*, Q. X. Wang, X. D.