Article ID Journal Published Year Pages File Type
171042 Comptes Rendus Chimie 2011 8 Pages PDF
Abstract

Density Functional Theory (DFT) was used to perform quantum chemical calculations at B3LYP level, with the 6-31G** basis set, as implemented by the Spartan computer program. The entities studied are the reaction of synthesis of MDMA (3,4, methylene dioxymethamphetamine), and a number of analogs of methamphetamine. The analogs have also been geometry-optimized and their infrared vibrational frequencies were calculated.

Related Topics
Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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