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作品数：227被引量：238H指数：7
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相关领域：轻工技术与工程医药卫生更多>>
相关作者：郭将张涛韩磊朱华友王紫艳更多>>
相关机构：复旦大学上海理工大学湖南大学上海交通大学更多>>
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Theoretical Exploration about the Detonation Performance and Thermal Stability of the Nitro-substituted Derivatives of Guanine被引量：1
《Chinese Journal of Structural Chemistry》2021年第4期409-414,405,共7页LI Bu-Tong LI Lu-Lin PENG Ju 
supported by the Natural Science Foundation of Guizhou Province(Nos.QKHPTRC[2018]5778-09 and QKHJC[2020]1Y038);the Natural Science Foundation of Guizhou Education University(Nos.14BS017 and 2019ZD001)。
The nitro-substituted derivatives of guanine are designed and calculated to explore novel high energy density materials.To explore the thermal stability of title molecules,the heat of formation(HOF),bond dissociation ...
关键词：high energy density compounds Kamlet-Jacobs equation density function theory guanine derivatives 
Looking for High Energy Density Molecules in the Nitro-substituted Derivatives of Pyridazine被引量：2
《Chinese Journal of Structural Chemistry》2020年第5期849-854,共6页LI Bu-Tong LI Lu-Lin HE Jia-Xin 
supported by the Foundation of Natural Science of Guizhou Education University(No.14BS017)。
A series of derivatives of pyridazine were designed through substituting hydrogens on the pyridazine ring with nitro groups.To explore the thermal stability of the title molecules,heats of formation,bond dissociation ...
关键词：quantum chemistry high energy density compounds density functional theory Kamlet-Jacobs equation 
Theoretical Study on Nitroso-Substituted Derivatives of Azetidine as Potential High Energy Density Compounds
《Chinese Journal of Structural Chemistry》2020年第4期643-650,共8页Bu-Tong LI Lu-Lin YANG Chuan 
supported by the Natural Science Foundation of Guizhou Province(Nos.QKHPTRC[2018]5778-09 and QKHJC[2020]1Y038);the Natural Science Foundation of Guizhou Education University(Nos.14BS017 and 2019ZD001).
At the B3PW91/6-311+G(d,p)//MP2/6-311+G(d,p)level,molecular densities,detonation velocities,and detonation pressures of nitroso substituted derivatives of azetidine with their thermal stabilities were investigated to ...
关键词：high energy density compounds Kamlet-Jacobs equation azetidine derivatives 
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