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Conformational analysis of flephedrone using quantum mechanical models

Flephedrone is an analogue of cathinone - chemically similar to ephedrine, cathine and other amphetamines. Conformations of all isomers of flephedrone have been studied at the quantum-chemical level. Calculations have been performed using DFT and MP2 methods with two basis sets - 6-31G and 6-31G(d,p...

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Detalles Bibliográficos
Autores principales: Kolodziejczyk, Wojciech, Jodkowski, Jerzy, Holmes, Tiffani M., Hill, Glake A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer-Verlag 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3578731/
https://www.ncbi.nlm.nih.gov/pubmed/23239394
http://dx.doi.org/10.1007/s00894-012-1673-z