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: