Xu Liancai

Lecturer

ADDRESS：No.166, Kexue Road, Zhengzhou, Henan province, China.

PHONE：+86-371-86609676

FAX：+86-371-86609676

E-mail: miss_xulc@126.com

Websites：

Research Interests：

Molecular dynamics simulations for ionic liquids, theoretical research on dye sensitized solar cell.

Education:

1997/9 - 2001/6，Department of Chemistry, Qufu Normal University, Bachelor of Science.

2001/9 - 2004/6，Department of Chemical Physics, University of Science and Technology of China, Master of Science.

2005/9 - 2008/6，Department of Chemistry, Sun Yat-sen University, Doctor of Philosophy.

2008/7 - 2010/9，School of Chemistry and Environment, Postdoctoral

Courses Taught:

Physical Chemistry, Structural Chemistry

Publications:

[1] Zhang Z. Q.,Xu L. C.* and Feng W. K., Intermolecular proton transfer in cyclic carbonate synthesis from epoxide and carbon dioxide catalyzed by azaphosphatranes: a DFT mechanistic study, Rsc. Adv., 2015, 5(16): 12382-12386.

[2] Zhang Z. Q.,*Xu L. C., Wang G. Q., Shao C. and Jiang L., The development and validation of a pseudoatoms approach for combined quantum mechanics and molecular mechanics calculations of polypeptide, Comput. Theor. Chem., 2014, 1043:38-46.

[3] Zhang Z. Q.,*Xu L. C.and Cheung H. Y., The inhibitory effect of helenalin on telomerase activity is attributed to the alkylation of the CYS445 residue: Evidence from QM/MM simulations, J. Mol. Graph. Model., 2014, 51:97-103.

[4]Xu L. C., Li Q. S.* and King R. B., Binuclear fluoroborylene (BF) cobalt carbonyls: Comparison with homoleptic cobalt carbonyls, Inorg Chim Acta, 2012, 388:184-192.

[5]Xu L. C.,* Li Q. S. and King R. B., Fluoroborylene ligands in binuclear ruthenium carbonyls: Comparison with their iron analogues, Polyhedron, 2012, 38(1): 44-49.

[6]Xu L. C., Li Q. S., King R. B. and Schaefer H. F., Coupling of Fluoroborylene Ligands To Give a Viable Cyclopentadienyliron Carbonyl Complex of Difluorodiborene (FB=BF), Organometallics, 2011, 30(19): 5084-5087.

[7]Xu L. C., Li Q. S., Zhang Z. Q., Miao T. F., Zheng K. C. and Ji L. N., A theoretical study on the substituent effect of DNA-photocleavage by [Ru(phen)(2)(6-R-dppz)](2+) (R = H, OH, and NO2), J Mol Struc-Theochem, 2010, 961(1-3): 35-41.

[8]Xu L. C., Li Q. S., Xie Y. M., King R. B. and Schaefer H. F., Binuclear fluoroborylene manganese carbonyls, Inorg Chim Acta, 2010, 363(13): 3538-3549.

[9]Xu L. C., Li Q. S., Xie Y. M., King R. B. and Schaefer H. F., Major Difference between the Isoelectronic Fluoroborylene and Carbonyl Ligands: Triply Bridging Fluoroborylene Ligands in Fe-3(BF)(3)(CO)(9) Isoelectronic with Fe-3(CO)(12), Inorg Chem, 2010, 49(6): 2996-3001.

[10]Xu L. C., Li Q. S., Xie Y. M., King R. B. and Schaefer H. F., Prospects for Making Organometallic Compounds with BF Ligands: Fluoroborylene Iron Carbonyls, Inorg Chem, 2010, 49(3): 1046-1055.

[11]Xu L. C., Li Q. S., Xie Y. M., King R. B. and Schaefer H. F., Fe-3(BF)(3)(CO)(8) structures with face-semibridging fluoroborylene ligands and a bicapped tetrahedral Fe3B3 cluster isoelectronic with Os-6(CO)(18), New J Chem, 2010, 34(12): 2813-2821.

Projects Undertaken:

NSFC Project No. U1204209, duration 2013/01-2015/12, in charge.

Honors:

Social services:

Important academic activities: