Design and properties of a new family of wing-like and propeller-like multi-tetrazole molecules as potential high-energy density compounds

Journal of Molecular Modeling ◽

10.1007/s00894-021-04935-6 ◽

2021 ◽

Vol 27 (10) ◽

Author(s):

Jing-Ru Li ◽

Jian-Guo Zhang

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

High Energy Density Compounds

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Theoretical design on a series of new cage‐shaped high energy density compounds

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202100124 ◽

2021 ◽

Author(s):

Li Tang ◽

Weihua Zhu

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

Theoretical Design ◽

High Energy Density Compounds

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Fatty amines as a new family of organic phase change materials with exceptionally high energy density

Solar Energy Materials and Solar Cells ◽

10.1016/j.solmat.2019.110340 ◽

2020 ◽

Vol 206 ◽

pp. 110340 ◽

Author(s):

Tao Chen ◽

Hanxue Sun ◽

Peng Mu ◽

Zhaoqi Zhu ◽

Junru An ◽

...

Keyword(s):

Energy Density ◽

Phase Change ◽

Organic Phase ◽

Phase Change Materials ◽

High Energy ◽

High Energy Density ◽

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Computational study about the derivatives of pyrrole as high-energy-density compounds

Molecular Simulation ◽

10.1080/08927022.2019.1655561 ◽

2019 ◽

Vol 45 (17) ◽

pp. 1459-1464 ◽

Author(s):

Bu-Tong Li ◽

Lu-Lin Li ◽

Xue Li

Keyword(s):

Energy Density ◽

Computational Study ◽

High Energy ◽

High Energy Density ◽

High Energy Density Compounds ◽

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Molecular Packing Prediction and Periodic Calculations on Three Polynitroadamantanes as Potential High Energy Density Compounds

Chinese Journal of Chemistry ◽

10.1002/cjoc.200890113 ◽

2008 ◽

Vol 26 (4) ◽

pp. 602-606 ◽

Author(s):

Xiao-Juan XU ◽

Wei-Hua ZHU ◽

He-Ming XIAO

Keyword(s):

Energy Density ◽

High Energy ◽

Molecular Packing ◽

High Energy Density ◽

High Energy Density Compounds ◽

Periodic Calculations

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Looking for high energy density compounds among polynitraminecubanes

Journal of Molecular Modeling ◽

10.1007/s00894-012-1582-1 ◽

2012 ◽

Vol 19 (2) ◽

pp. 571-580 ◽

Author(s):

Wei-Jie Chi ◽

Lu-Lin Li ◽

Bu-Tong Li ◽

Hai-Shun Wu

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

High Energy Density Compounds

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A DFT Study on the Structures and Energies of Isomers of 4-Amino-1,3-dinitro-1,2,4-triazol-5-one-2-oxide: New High Energy Density Compounds

Propellants Explosives Pyrotechnics ◽

10.1002/prep.201200175 ◽

2013 ◽

Vol 38 (3) ◽

pp. 425-432 ◽

Author(s):

Pasupala Ravi ◽

Surya P. Tewari ◽

Ramakrishna Ramaswamy

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

Dft Study ◽

High Energy Density Compounds

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Theoretical Study for High-Energy-Density Compounds Derived from Cyclophosphazene. IV. DFT Studies on 1,1-Diamino-3,3,5,5,7,7-hexaazidocyclotetraphosphazene and Its Isomers

International Journal of Molecular Sciences ◽

10.3390/ijms10083502 ◽

2009 ◽

Vol 10 (8) ◽

pp. 3502-3516 ◽

Author(s):

Jianguo Zhang ◽

Huihui Zheng ◽

Tonglai Zhang ◽

Man Wu

Keyword(s):

Energy Density ◽

Theoretical Study ◽

High Energy ◽

High Energy Density ◽

Dft Studies ◽

High Energy Density Compounds

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Theoretical predictions on the structures and properties for polynitrohexaazaadamantanes (PNHAAs) as potential high energy density compounds (HEDCs)

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.11.034 ◽

2008 ◽

Vol 853 (1-3) ◽

pp. 1-6 ◽

Author(s):

Xiao-Juan Xu ◽

Wei-Hua Zhu ◽

He-Ming Xiao

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

Structures And Properties ◽

Theoretical Predictions ◽

High Energy Density Compounds

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Looking for High Energy Density Compounds among 1,3-Bishomopentaprismane Derivatives with CN, NC, and ONO2Groups

The Journal of Physical Chemistry A ◽

10.1021/jp8103408 ◽

2009 ◽

Vol 113 (11) ◽

pp. 2607-2614 ◽

Author(s):

Limei Qiu ◽

Xuedong Gong ◽

Guixiang Wang ◽

Jian Zheng ◽

Heming Xiao

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

High Energy Density Compounds

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Theoretical studies on polynitro-1,3-bishomopentaprismanes as potential high energy density compounds

Journal of Hazardous Materials ◽

10.1016/j.jhazmat.2008.11.099 ◽

2009 ◽

Vol 166 (2-3) ◽

pp. 931-938 ◽

Author(s):

Limei Qiu ◽

Xuedong Gong ◽

Jian Zheng ◽

Heming Xiao

Keyword(s):

Energy Density ◽

High Energy ◽

High Energy Density ◽

Theoretical Studies ◽

High Energy Density Compounds

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