Computer-Assisted Evaluation and Design of Phase Transfer Catalysts forTrinitroazetidine and Trinitrotoluene Syntheses

摘要

This project focuses upon specific problems that exist in the syntheticprocedures for two key energetic compounds, trinitroazetidine (TNAZ) and trinitrotoluene (TNT). In preparing TNAZ, a low-yield is obtained in one of the