Journal
CHEMICAL PHYSICS LETTERS
Volume 785, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2021.139116
Keywords
Chemical warfare agent; Nerve agent; Novichok agent; Density functional theory
Funding
- Japan Society for the Promotion of Science (JSPS) [20K18990]
- Grants-in-Aid for Scientific Research [20K18990] Funding Source: KAKEN
Ask authors/readers for more resources
Novichok agents, a new class of nerve agents, have been involved in recent cases and are extremely toxic. The study demonstrates the possibility of theoretical calculations for safely researching highly toxic substances, showing that novichok agents behave more like VX than sarin in hydrolysis reactions.
Novichok agents are a new class of nerve agents that have been involved in three recent cases. Little is known about the nature of these chemicals and, from a social security perspective, investigation of their physicochemical properties is necessary. Because novichok agents are extremely toxic, we used theoretical calculations to study their hydrolysis reactions. We performed calculations under basic conditions and compared the results with those of conventional nerve agents. In most cases, the novichok agents behaved more like VX than sarin. This paper demonstrates the possibility of theoretical calculations for safely conducting research on highly toxic substances.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available