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Paper

Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

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Corresponding authors
a
Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, KAUST Catalysis Center, Thuwal 23955-6900, Saudi Arabia
E-mail: Yury.Minenkov@kaust.edu.sa, Luigi.Cavallo@kaust.edu.sa
b
Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany
E-mail: Frank.Neese@cec.mpg.de
Phys. Chem. Chem. Phys., 2017, Advance Article

DOI: 10.1039/C7CP00836H
Received 07 Feb 2017, Accepted 07 Mar 2017
First published online 07 Mar 2017
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Open Access
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