Conformational analysis of flephedrone using quantum mechanical models
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چکیده
منابع مشابه
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). Results show that there are low energy conformers for the ortho, meta, and para isomers that a...
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ژورنال
عنوان ژورنال: Journal of Molecular Modeling
سال: 2012
ISSN: 1610-2940,0948-5023
DOI: 10.1007/s00894-012-1673-z