Effects of vibrational averaging on coupled cluster calculations of spin–spin coupling constants for hydrocarbons-Reference-Cited by-同舟云学术

Effects of vibrational averaging on coupled cluster calculations of spin–spin coupling constants for hydrocarbons

Published:2012-04-27 Issue:19-20 Volume:110 Page:2321-2327
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Sneskov Kristian¹,Stanton John F.²

Affiliation:

1. a The Lundbeck Foundation Center for Theoretical Chemistry and Department of Chemistry , Aarhus University , Langelandsgade 140, DK-8000 Aarhus C , Denmark

2. b Institute for Theoretical Chemistry and Department of Chemistry and Biochemistry , The University of Texas at Austin , Austin , Texas 78712-0165 , USA

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2012.678904

Reference42 articles.

1. Electron Coupled Interactions between Nuclear Spins in Molecules

2. The quantum-chemical calculation of NMR indirect spin–spin coupling constants

3. What made possible the accurate calculations of NMR spin–spin coupling constants?

4. Coupled‐cluster calculations of indirect nuclear coupling constants: The importance of non‐Fermi contact contributions

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