Abstract
Calculations with both DFT-B3LYP and semiempirical quantum chemical PM3 methods are carried out on a series of tetrazole derivatives and their metal salts to investigate the relationship between the relative order of impact sensitivity and activation energy of thermal decomposition. The results show that the relative order of sensitivity for the titled compounds can be predicted by examining the activation energy for breaking down of tetrazole ring. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 350–357, 2000
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
