Yuxiang Bu

Wenming Sun, Yuxiang Bu, Yixuan Wang: Interaction and protection mechanism between li@C₆₀ and nucleic acid bases (NABs): Performance of PM6-DH2 on noncovalent interaction of NABs-Li@C60. Journal of Computational Chemistry 33(5): 490-501 (2012)

Hongfang Yang, Qisheng Song, Xinyu Song, Yuxiang Bu: Multi-zinc-expanded graphene patches: Tetraradical versus diradical character. Journal of Computational Chemistry 33(21): 1773-1780 (2012)

Huifang Li, Laibin Zhang, Li Han, Wenming Sun, Yuxiang Bu: Internucleotide J-couplings and chemical shifts of the N---H···N hydrogen-bonds in the radiation-damaged guanine-cytosine base pairs. Journal of Computational Chemistry 32(6): 1159-1169 (2011)

Laibin Zhang, Huifang Li, Ji-Lai Li, Xiaohua Chen, Yuxiang Bu: Absorption and fluorescence emission spectroscopic characters of naphtho-homologated yy-DNA bases and effect of methanol solution and base pairing. Journal of Computational Chemistry 31(4): 825-836 (2010)

Haiying Liu, Xiaohua Chen, Yuxiang Bu: Redox-induced configuration conversion for thioacetamide dimer can function as a molecular switch. Journal of Computational Chemistry 31(14): 2533-2539 (2010)

Ji-Lai Li, Cai-Yun Geng, Yuxiang Bu, Xu-Ri Huang, Chia-Chung Sun: Conformational transition pathway in the allosteric process of calcium-induced recoverin: Molecular dynamics simulations. Journal of Computational Chemistry 30(7): 1135-1145 (2009)

Yongqi Huang, Huifang Li, Yuxiang Bu: Molecular dynamics simulation exploration of cooperative migration mechanism of calcium ions in sarcoplasmic reticulum Ca²⁺-ATPase. Journal of Computational Chemistry 30(13): 2136-2145 (2009)

Xiaohua Chen, Dianxiang Xing, Liang Zhang, Robert I. Cukier, Yuxiang Bu: Effect of metal ions on radical type and proton-coupled electron transfer channel: sigma-Radical vs pi-radical and sigma-channel vs pi-channel in the imide units. Journal of Computational Chemistry 30(16): 2694-2705 (2009)

Ping Li, Yuxiang Bu: Double proton transfer and one-electron oxidation behavior in double H-bonded glycinamide-glycine complex in the gas phase. Journal of Computational Chemistry 26(6): 552-560 (2005)

Yuxiang Bu, Chengbu Liu: The orientation and distance-dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn2+(H2O)2/Mn3+(H2O)2 system. Journal of Computational Chemistry 21(15): 1387-1404 (2000)

Yuxiang Bu, Haitao Sun, Hongbo Niu: Electron transfer reactivity of O2+O2- system in low-spin coupling: Ab Initio study at electron correlation level. Journal of Computational Chemistry 20(10): 989-998 (1999)