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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 19-20: Special Issue in Honour of Peter R. Taylor
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Invited Articles

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

Kristian Sneskov The Lundbeck Foundation Center for Theoretical Chemistry and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, DenmarkCorrespondence[email protected]
&
John F. Stanton Institute for Theoretical Chemistry and Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712-0165, USA
Pages 2321-2327 | Received 06 Dec 2011, Accepted 18 Mar 2012, Published online: 27 Apr 2012

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