Computational ECD spectrum simulation of the phytotoxin scytalone: Importance of solvent effects on conformer populations
Academic Article
Publication Date:
2014
CRIS type:
1.1 Articolo in rivista
Keywords:
absolute configuration; conformations; electronic circular dichroism; melanin; naphthalenones; TDDFT CD calculations; Drug Discovery3003 Pharmaceutical Science; Pharmacology; Catalysis; Spectroscopy; Organic Chemistry; Analytical Chemistry
List of contributors:
Mazzeo, Giuseppe; Cimmino, Alessio; Andolfi, Anna; Evidente, Antonio; Superchi, Stefano
Published in: