Comment on "Cocaine Hydrochloride Structure in Solution Revealed by Three Chiroptical Methods"

Chemphyschem. 2017 Sep 20;18(18):2549-2551. doi: 10.1002/cphc.201700765. Epub 2017 Aug 21.

Authors

Gennaro Pescitelli¹, Torsten Bruhn²

Affiliations

¹ Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, 56124, Pisa, Italy.
² German Federal Institute for Risk Assessment, Department Chemicals and Product Safety, Max-Dohrn-Str. 8-10, 10589, Berlin, Germany.

PMID: 28834057
DOI: 10.1002/cphc.201700765

No abstract available

Keywords: DFT functionals; TDDFT calculations; conformational analysis; electronic circular dichroism; geometry optimization.

Publication types

Letter
Comment

MeSH terms

Circular Dichroism
Cocaine*
Molecular Conformation*
Stereoisomerism

Substances

Cocaine