A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the intermolecular hydrogen-bonding interaction between the nitro group of RNO2 (R = –CH3, –NH2, –OCH3) and HF, HCl or HBr

✍ Scribed by Hai-bin Wang; Wen-jing Shi; Fu-de Ren; Lei Yang; Jian-long Wang

• Book ID: 116380208
• Publisher: Elsevier
• Year: 2012
• Tongue: English
• Weight: 835 KB
• Volume: 994
• Category: Article
• ISSN: 2210-271X
• DOI: 10.1016/j.comptc.2012.06.018