联系方式

    南京大学化学化工学院
    理论与计算化学研究所

地址:江苏省南京市仙林大道163#        地图
邮编: 210023
电话: 025-83686465
传真: 025-83686466
Email: shuhua@nju.edu.cn
实验室: 仙林化学楼G507

招生招聘
    
    热忱欢迎化学、物理相关专业优秀本科生、研究生来攻读研究生与博士生,欢迎在理论与计算化学领域以及理论物理、理论生物领域获得博士学位的学者前来从事博士后研究。
 
 
发表文章 (2014)
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2011 2012 2013 2014 2015 2016 2017 2018

Zhang, C.; Li, S.* "An efficient localization procedure for large systems using a sequential transformation strategy" J.Chem.Phys. 141, 244106 (2014).  PDF

Zhang C.; Yuan D.; Guo Y.; Li S.* "Efficient Implementation of Local Excitation Approximation for Treating Excited States of Molecules in Condensed Phase" J. Chem. Theory Comput. 10, 5308 (2014).  PDF

Wang K.; Li W.*; Li S."Generalized Energy-Based Fragmentation CCSD(T)-F12a Method and Application to the Relative Energies of Water Clusters (H2O)20" J. Chem. Theory Comput. 10, 1546 (2014). PDF

Guo Y.; Li W.; Li S.* "Improved Cluster-in-Molecule Local Correlation Approach for Electron Correlation Calculation of Large Systems" J. Phys. Chem. A 118, 8996 (2014). PDF

Miao J.; Li S.* "Structural preferences of two unnatural hybrid octapeptides with and without the crystal environment: a computational study" Theor. Chem. Acc. 133, 1444 (2014). PDF

Li W.; Li S.* "Cluster-in-molecule local correlation method for large systems " Sci. China. Chem. 57, 78 (2014).  PDF

Li S.*; Li W.; Ma J. "Generalized Energy-Based Fragmentation Approach and Its Applications to Macromolecules and Molecular Aggregates" Acc. Chem. Res. 47, 2712 (2014).  PDF

                                 

Guo Y.; Li W.; Yuan D.; Li S.* "The relative energies of polypeptide conformers predicted by linear scaling second-order Moller-Plesset perturbation theory" Sci. China Chem. 57,1393 (2014).  PDF

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