Antoine Equation Coefficients for Novichok Agents (A230, A232, and A234) via Molecular Dynamics Simulations
The flexible models of Novichok agents (A230, A232, and A234) from previous molecular dynamics simulations (MDSs) have been employed to create a parameter set for the Antoine equation of each of the three liquids. Furthermore, for the needs of this paper, new models of Novichok agents were created a...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-05-01
|
| Series: | Physchem |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-7167/3/2/17 |