姓名:樊建芬 职称:教授、硕士生导师 联系方式:
Tel: 86-512-65882890 (Lab)
Email:jffan@suda.edu.cn课题组网站 |
|
学历及学术经历
:1
986
、
1989
和
1997
年先后获得南京理工大学化学工程
专业
学士学位、物理化学专业硕士学位以及材料学专业博士学位,
同年
7
月
至今在www.优德88.cpm 材料与化学化工学部工作,
2009
年晋升物理化学专业教授。讲授“结构化学”和“量子化学”等课程,2005年度获教学竞赛一等奖,2006年度获“建行奖教金”教学奖。主持国家自然科学基金项目“跨膜环肽纳米管模拟生物水通道的分子动力学研究”(No.21173154)、江苏省教委基金项目“沸石结构和催化机理的QM、MM和MD研究”(No.98KJB150001)和江苏省级重点实验室开放基金“不对称直接羟醛缩合反应QM研究”(No.JSK010),作为主要成员参加国家自然科学基金项目“有机分子在沸石中的吸附、扩散和催化的MM和MD研究”(No.29773021)及973子专题等项目,发表学术论文50多篇。2004和2005年,项目“含能体系结构和性能的理论研究”和“高能体系的理论与实验研究”分别获国防科学技术二等奖(证书号:2004GFJ2185-8)和教育部提名国家科学技术 (自然科学)二等奖(证书号:2004-090)。
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。
代表写论文:
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 influence
s
of water solvent on the structures and stabilities of Na+
–
AD conformers,J. F. Fan*, M. Tang, L. G. Qiao, et al.
Amino Acids
2010
, 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. A
2010
,
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. |