Institut für Nichtklassische Chemie

Molecular Modelingof Triethyl Phosphate: Extensionand Validation of the TraPPE Force Field

Abstract The study of physical properties of organophosphorus chemical warfare agents (CWAs) is essential for detection, protection, decontamination, and destruction. Due to the extreme toxicity of CWAs, other organophosphorus molecules with similar chemical structures are employ...