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Journal of Molecular Modeling|April 1, 2016
A dynamics prediction of nitromethane → methyl nitrite isomerization in external electric fieldFu-de Ren, Duan-lin Cao, Wen-jing ShiJournal of Molecular Modeling|September 8, 2012
A B3LYP and MP2(full) theoretical investigation into the strength of the C-NO(2) bond upon the formation of the intermolecular hydrogen-bonding interaction between HF and the nitro group of nitrotriazole or its methyl derivativesBao-Hui Li, Wen-Jing Shi, Fu-de Ren, et al.Journal of Molecular Modeling|November 26, 2022
Theoretical insight into the acidity and cooperativity effect of the LLM-105∙(HNO<sub>3</sub>)<sub>2</sub> systemShuang-Jun Chang, Fu-de Ren, Hao Wu, et al.Journal of Molecular Modeling|April 13, 2015
A theoretical study on the strength of the C-NO2 bond and ring strain upon the formation of the intermolecular H-bonding interaction between HF and nitro group in nitrocyclopropane, nitrocyclobutane, nitrocyclopentane or nitrocyclohexaneWei Qiu, Fu-de Ren, Wen-jing Shi, et al.Journal of Molecular Modeling|April 1, 2016
A theoretical prediction of the relationships between the impact sensitivity and electrostatic potential in strained cyclic explosive and application to H-bonded complex of nitrocyclohydrocarbonFu-de Ren, Duan-lin Cao, Wen-jing Shi, et al.Journal of Molecular Modeling|July 8, 2010
Can the positive aromatic ring be as π-electron donor in π-halogen bond? A MP2 theoretical investigation on the unusual π-halogen bond interaction between three-membered ring (BNN)₃⁺ and X1X2 (X1, X2 = F, Cl, Br)Hai-Tao Qi, Fu-de Ren, Jing-Lin Zhang, et al.Journal of Molecular Modeling|October 1, 2016
Theoretical insights into the stabilities, detonation performance, and electrostatic potentials of cocrystals containing α- or β-HMX and TATB, FOX-7, NTO, or DMF in various molar ratiosKen-Peng Song, Fu-de Ren, Shu-Hai Zhang, et al.Journal of Molecular Modeling|December 13, 2017
Theoretical and experimental investigation into a eutectic system of 3,4-dinitropyrazole and 1-methyl-3,4,5-trinitropyrazoleShuang-Fei Zhu, Shu-Hai Zhang, Rui-Jun Gou, et al.Journal of Molecular Modeling|September 30, 2018
Theoretical investigation into the cooperativity effect between the intermolecular π∙π and H-bonding interactions in the curcumin∙cytosine∙H<sub>2</sub>O systemJie Pan, Duan-Lin Cao, Fu-de Ren, et al.Journal of Molecular Modeling|May 20, 2015
A theoretical prediction of the possible trigger linkage of CH3NO2 and NH2NO2 in an external electric fieldFu-de Ren, Duan-lin Cao, Wen-jing Shi, et al.Pageof 5