Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
171042 | Comptes Rendus Chimie | 2011 | 8 Pages |
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.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Danielle Sapse, Elise Champeil, Anne-Marie Sapse,