Conformational analysis of spiro-epoxides by principal component analysis of molecular dynamics trajectories
Author:
Affiliation:
1. Department of Chemistry
2. Faculty of Science
3. University of Zagreb
4. HR-10000 Zagreb
5. Croatia
6. Division of Organic Chemistry and Biochemistry
7. Ruder Bošković Institute
8. HR-Zagreb 10002
Abstract
A probability distribution calculated in a reduced internal coordinate space sampled by molecular dynamics simulations for spiro-epoxide derivatives.
Funder
Hrvatska Zaklada za Znanost
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05600A
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