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...

詳細記述

書誌詳細
主要な著者: Saprizal Hadisaputra, Niko Prasetyo
フォーマット: 論文
言語:English
出版事項: Universitas Indonesia 2016-06-01
シリーズ:Makara Journal of Science
主題:
オンライン・アクセス:http://journal.ui.ac.id/index.php/science/article/view/5951/3672