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Enhua Xu, Dongbo Zhao and Shuhua Li*, "Multireference Second Order Perturbation Theory with a Simplified Treatment of Dynamical Correlation", J. Chem. Theory Comput., 2015，11, 4634. PDF
Jiyang Zhao, Guoqiang Wang and Shuhua Li*,
"An insight into the Lewis acid-catalyzed intramolecular aminocyanation and oxycyanation of alkenes: a concerted or stepwise mechanism" , ChemComm., 2015, 51, 15450. learn more . PDF
Jiyang Zhao, Guoqiang Wang and Shuhua Li*, "Mechanistic insights into the full hydrogenation of 2,6-substituted pyridine catalyzed by the Lewis acid C6F5(CH2)2B(C6F5)2" ,Dalton Trans., 2015, 44,
9200. PDF
Xu, E., Li, S*. "The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function" , J. Chem. Phys. 142, 2015, 09, 4119. PDF
Zhaokang Fan, Huiru Zhao, Nengquan Li, Yiwu Quan, Qingmin Chen, Shuhua Li, "Tuning Charge Balance in Solution-Processable Bipolar Triphenylamine-diazafluorene Host Materials for Phosphorescent Devices", ACS Appl. Mater. Interfaces, 2015, 7, 9445. PDF
Chen, K.; Zhao, H.; Chen, Q.*; Quan, Y.*; Li, S.* "Macrospirocyclic Oligomer Based on Triphenylamine and Diphenylphosphine Oxide as a Bipolar Host for Efficient Blue Electrophosphorescent Organic Light-Emitting Diodes (OLEDs)", Org. Lett. 2015, 17, 1413 . PDF
Fang, T.;
Li, W.; Gu, F.; Li, S.* "Accurate Prediction of Lattice Energies
and Structures of Molecular Crystals with Molecular Quantum Chemistry
Methods" J. Chem. Theory Comput. 2015, 11, 91. PDF
Li, W.; Chen, C.; Zhao, D.; Li, S.*
"LSQC: Low Scaling Quantum Chemistry Program" Int. J. Quantum Chem. ,2015, 115, 641. PDF
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