Lili Shi

发表

An accurate density functional theory calculation for electronic excitation energies: the least-squares support vector machine.

Shiling Sun, Hongzhi Li, Ting Gao, 2009, The Journal of chemical physics.

First-principles studies on the efficient photoluminescent iridium(III) complexes with C^N═N ligands.

Zhijian Wu, Lili Shi, Juanjuan Su, 2011, Inorganic chemistry.

THEORETICAL STUDY ON ENDOHEDRAL COMPLEXES C2H2–C60, C2H4–C60, AND C2H6–C60

Z. Su, Min Zhang, Lili Shi, 2008 .

DFT/TD-DFT study on the electronic structures and optoelectronic properties of several blue-emitting iridium(III) complexes.

Z. Su, Zhijian Wu, Lili Shi, 2010, The journal of physical chemistry. A.

Theoretical studies on the electronic structure and spectral properties of versatile diarylethene-containing 1,10-phenanthroline ligands and their rhenium(I) complexes

Z. Su, Guochun Yang, Liang Zhao, 2007 .

Improving the accuracy of density-functional theory calculation: the genetic algorithm and neural network approach.

Min Zhang, Zhongmin Su, GuanHua Chen, 2007, The Journal of chemical physics.

Theoretical study on the electron transfer and phosphorescent properties of iridium(III) complexes with 2-phenylpyridyl and 8-hydroxyquinolate ligands.

Z. Su, Y. Geng, Zhijian Wu, 2010, Dalton Transactions.

A novel route for designing C 60 derivatives with large first hyperpolarizability: Cage-opened cases

Z. Su, Liang Zhao, Min Zhang, 2011 .

Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach.

Hui Li, Ying-Hua Lu, Ting Gao, 2009, Physical chemistry chemical physics : PCCP.

Effect of pi-conjugated length of bridging ligand on the optoelectronic properties of platinum(II) dimers.

Z. Su, Lili Shi, Y. Liao, 2008, Inorganic chemistry.