A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the molecule–cation interaction between the nitro group of RNO2 (R = –CH3, –NH2, –OCH3) and Na+, Mg2+ or Al3+

✍ Scribed by Cong-hua Hou; Wen-jing Shi; Fu-de Ren; Yong Wang; Jing-yu Wang

• Book ID: 116380168
• Publisher: Elsevier
• Year: 2012
• Tongue: English
• Weight: 917 KB
• Volume: 991
• Category: Article
• ISSN: 2210-271X
• DOI: 10.1016/j.comptc.2012.04.009