Abstract
In this work we was study correlation between electronic structure of (R)-4-menthen-3-one and restricted transitions between its conformers. By NBO analysis, carried out in ab inition methods, we found special orbital interactions and sterical effects in conformers of (R)-4-menthen-3-one, which explained difficults of inversion and rotation.
Publisher
Turkish Computational and Theoretical Chemistry
Subject
Materials Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry, Genetics and Molecular Biology (miscellaneous),Molecular Medicine,Biochemistry