Theoretical study on the mechanism of the gas-phase reaction of diborane(3) anion with carbon disulfide. - Zheng-Wang Qu; Hui Zhu 009; Ze-Sheng Li; Qi-Yuan Zhang (J. Comput. Chem., 2002)

Density functional investigation on electron-transfer catalysis of cycloreversion of cyclobutane: Radical anion mechanism. - Zheng-Wang Qu; Hui Zhu 009; Xing-Kang Zhang; Qi-Yuan Zhang (J. Comput. Chem., 2003)

Density functional investigation of reaction of borohydride cation BH2+ with propylene. - Zheng-Wang Qu; Hui Zhu 009; Ze-Sheng Li; Xing-Kang Zhang; Qi-Yuan Zhang (J. Comput. Chem., 2004)

Reaction Paths and Elementary bifurcations Tracks: the Diabatic 1B2-State of ozone. - Stavros C. Farantos; Zheng-Wang Qu; Hui Zhu 009; R. Schinke (Int. J. Bifurc. Chaos, 2006)

Do anionic titanium dioxide nano-clusters reach bulk band gap? A density functional theory study. - Zheng-Wang Qu; Hui Zhu 009 (J. Comput. Chem., 2010)

Vibrational spectral signatures of peptide secondary structures: N-methylation and side chain hydrogen bond in cyclosporin A. - Zheng-Wang Qu; Hui Zhu 009; Volkhard May (J. Comput. Chem., 2011)

Toward product control in ring-opening oligomerization of 9H-9-borafluorenes. - Hui Zhu 009; Zheng-Wang Qu (J. Comput. Chem., 2014)