Enhua Xu, Dongbo Zhao and Shuhua Li, * "Multireference Second Order Perturbation Theory with a Simplified Treatment of Dynamical Correlation" J. Chem. Theory Comput.,11,4634(2015). DOI: 10.1021/acs.jctc.5b00495.  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., 51, 15450 (2015). DOI: 10.1039/c5cc06808h.  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., 44, 9200 (2015).  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, 094119 (2015). 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, 7, 9445, (2015). 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. 17, 1413 (2015). 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. 11,91 (2015). PDF

Li, W.; Chen, C.; Zhao, D.; Li, S.* "LSQC: Low Scaling Quantum Chemistry Program" Int. J. Quantum Chem. 115, 641 (2015). PDF

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