代表性研究论文：

1. 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.

2. 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.

3. Nan Lu,Yuxiang Bu*, Cu-Wire-Mediated Dipyrimidine Base Pairs as the Building Blocks for Conductive and Magnetic Cu-DNA Nanowires. Journal of Mathematical Chemistry. 2017, 55(6), 1301-1321.

4. Nan Lu*, Huatian Wang*, Theoretical mechanism studies on the competitive CO-induced N-N bond cleavage of N₂Owith N-O bondcleavage mediated by (η⁵-C₅Me₅)Mo[N(ⁱPr)C(Me)N(ⁱPr)](CO)₂ [J].Dalton Trans.,2013, 42 (38), 13931-13939.

5. Nan Lu*, 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

6. Nan Lu*, 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.

7. Nan Lu*, 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.

8. Nan Lu*, 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.

9. Nan Lu, Lin Meng, Dezhan Chen*, Guiqiu Zhang. Enantioselectivity in Organocatalytic Cascade Double Michael Addition Reaction: A Theoretical Study[J]. J. Phys. Chem. A2012, 116(1), 670-679.