The Explosive Sensitivity on the Complex Formation of 3-Nitro-1,2,4-Triazol-5-One and Metal Ions Based on Density Functional Study

The Explosive Sensitivity on the Complex Formation of 3-Nitro-1,2,4-Triazol-5-One and Metal Ions Based on Density Functional Study

The explosive sensitivity upon the formation of supramolecular interaction between the nitro group of 3-nitro-1,2,4-triazol-5-one (NTO) and metal ions (Mn+ = Li+, Na+, Be2+ and Mg2+) has been investigated using Density Functional Theory at B3LYP/6-311++G** level of theory. The bond dissociation ener...

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Detalles Bibliográficos
Main Authors: Saprizal Hadisaputra, Niko Prasetyo
Formato: Artigo
Idioma:English
Publicado: Universitas Indonesia 2016-06-01
Series:Makara Journal of Science
Subjects:
density functional theory
explosive
sensitivity
Acceso en liña:http://journal.ui.ac.id/index.php/science/article/view/5951/3672

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