A theoretical study on unusual intermolecular T-shaped X-H center dot center dot center dot pi interactions between the singlet state HB=BH and HF, HCl, HCN or H2C2

Ren, Fu-de; Cao, Duan-lin; Wang, Wen-liang; Ren, Jun; Hou, Su-qing; Chen, Shu-sen

Journal of Molecular Modeling, 2009, 15(5): 515-523.

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A UB3LYP and UMP2 theoretical investigation on unusual cation-pi interaction between the triplet state HB=BH (3 Sigma(-)(g)) and H+, Li+, Na+, Be2+ or Mg2+

Xu, Wen-zheng; Ren, Fu-de; Ren, Jun; Liu, Sheng-nan; Yue, Yuan; Wang, Wen-liang; Chen, Shu-sen

Journal of Molecular Modeling, 2010, 16(4): 615-627.

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Can the BB multiple bonds be as the stronger hydrogen-bond proton acceptors than the CC multiple bonds: A comparative theoretical investigation on unusual intermolecular T-shaped X-H center dot center dot center dot pi interaction between HF and HB=B

Ren, Fu-de; Cao, Duan-lin; Wang, Wen-liang; Ren, Jun; Chen, Shu-sen

Journal of Molecular Structure (Theochem), 2009, 896(1-3): 38-43.

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Theoretical investigation on geometries and aromaticity of mixed boron-, nitrogen- and furanoxo-containing five-membered rings B2N2OHp (p=0-2)

Hu, Tuo-ping; Ren, Fu-de; Ren, Jun

Journal of Molecular Structure (Theochem), 2009, 909(1-3): 13-18.

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A B3LYP and MP2(full) theoretical investigation into the strength of the C-NO2 bond upon the formation of the molecule-cation interaction between Na+ and the nitro group of nitrotriazole or its methyl derivatives

Wei, Qing-guo; Shi, Wen-jing^*; Ren, Fu-de; Wang, Yong; Ren, Jun

JOURNAL OF MOLECULAR MODELING, 2013, 19(1): 453-463.

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Theoretical Studies on Intermolecular Hydrogen-bond Interactions between Hexamethylenetetramine and Nitric Acid

Chen Li-Zhen; Zhang Lin; Ren Fu-De^*; Cao Duan-Lin; Ren Jun

Chinese Journal of Structural Chemistry, 2013, 32(1): 7-16.

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A UB3LYP and UMP2 theoretical investigation on unusual cation-pi interaction between the triplet state HB=BH ((3)Sigma(-)(g) and H+, Li+, Na+, Be2+ or Mg2+ (vol 16, pg 615, 2010)

Ren, Fu-de^*; Ren, Jun; Liu, Sheng-nan; Yue, Yuan; Wang, Wen-liang; Chen, Shu-sen

Journal of Molecular Modeling, 2011, 17(5): 1223-1226.

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Structures and electron affinities of triatomic molecules consisting of Al, P and X (X = B, Al, Ga; C, Si, Ge; N, P, As; O, S and Se)

Hu, Tuoping; Zhang, Congjie; Ren, Fude; Ren, Jun; Jia, Wenhong

Journal of Molecular Modeling, 2009, 15(2): 157-163.

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Theoretical investigation on the structures and thermodynamic properties of mixed boron-, nitrogen- and oxygen-containing three- and four-membered rings BnNmOHp (n=0-3, m=0-3, p=0-3)

Ma, Dong-xu; Ren, Fu-de; Hu, Tuo-ping; Ren, Jun

Journal of Molecular Structure (Theochem), 2010, 942(1-3): 121-130.

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Theoretical Investigations on the Structures and Properties of the Side-on Complexes B(2)(N(2))(2) and Monocyclic B(n)(N(2))(n)(m) (n=3 similar to 6, m =-1 similar to+2)

Liu Sheng-Nan; Cao Duan-Lin; Ren Fu-De^*; Ren Jun

Chinese Journal of Structural Chemistry, 2010, 29(10): 1459-1466.

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