Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions

DSpace Repository

Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions

Author: Dracinsky, Martin; Moeller, Heiko M.; Exner, Thomas E.
Tübinger Autor(en):
Exner, Thomas Eckart
Published in: Journal of Chemical Theory and Computation (2013), Bd. 9, H. 8, S. 3806-3815
Verlagsangabe: Amer Chemical Soc
Language: English
Full text: http://dx.doi.org/10.1021/ct400282h
ISSN: 1549-9618
DDC Classifikation: 540 - Chemistry and allied sciences
530 - Physics
Dokumentart: Artikel
Show full item record

This item appears in the following Collection(s)