Nan Lu*, Xiaozheng Lan*, Chengxia Miao, Ping Qian, Theoretical investigation on transformation of Cr(II) to Cr(V) complexes bearing tetra-NHC and group transfer reactivity[J]. Int. J. Quantum Chem. 2020, 120, 18, 1-10. First published: 16 July 2020 https://doi.org/10.1002/qua.26340
Wan-Sheng Ren, Kai-Bin Jiang, Hao Deng, Nan Lu, Tao Yu*, Hong Guo*, and Ping Qian*, Catalytic Mechanism and Product Specificity of Protein Arginine Methyltransferase PRMT7: A Study from QM/MM Molecular Dynamics and Free Energy Simulations[J]. J. Chem. Theory Comput. 2020, 16, 8, 5301–5312.
Nan Lu,Yuxiang Bu*, Huatian Wang, Intensified effects of multi-Cu modification on the electronic properties of the modified base pairs containing hetero-ring-expanded pyrimidine bases[J]. Phys. Chem. Chem. Phys., 2016, 18, 2913-2923.
NanLu*,Yuxiang Bu, Computational design of three Cu-induced triangular pyrimidines-based DNA motifs with improved conductivity. Canadian Journal of Chemistry. 2017, 95, 571-579.
NanLu*,Yuxiang Bu, Cu-Wire-MediatedDipyrimidineBasePairsastheBuildingBlocksforConductiveandMagneticCu-DNANanowires. Journal of Mathematical Chemistry. 2017, 55(6), 1301-1321.
NanLu*, Huatian Wang*, Theoretical mechanism studies on the competitive CO-induced N-N bond cleavage of N2O with N-O bond cleavage mediated by (η5-C5Me5)Mo[N(iPr)C(Me)N(iPr)](CO)2 [J]. Dalton Trans., 2013, 42 (38), 13931-13939.
NanLu*, Huatian Wang*, A Theoretical investigation on the N−N bond cleavage of Ta(IV) hydrazido and hydrazidium complexes for N2 activation [J]. Journal of Structural Chemistry, 2016, 57(1):47-53
NanLu*, Huatian Wang*, A Theoretical investigation on Palladium-catalyzed one-pot coupling of aryl iodides, alkynes and amines through C-N bond cleavage for the synthesis of indole derivatives [J]. Int. J. Quantum Chem. 2015, 115(6), 361-368.
NanLu*, Huatian Wang*, Theoretical study of Enantiomeric and Geometric Control in Chiral Guanidine-Catalyzed Asymmetric 1,4-Addition of 5H-oxazol-4-ones [J]. Int. J. Quantum Chem. 2013, 113, 2267-2276.
NanLu*, Huatian Wang*, Theoretical mechanism studies on the enantioselectivity of aza-MBH-type reaction of nitroalkene to N-tosylimine catalyzed by thiourea-tertiary amine [J]. Bull. Korean Chem. Soc. 2013, 34, 3591-3596.