London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study-Reference-Cited by-同舟云学术

London dispersion effects in the coordination and activation of alkanes in σ-complexes: a local energy decomposition study

Published:2019 Issue:22 Volume:21 Page:11569-11577
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lu Qing¹²³^ORCID,Neese Frank¹²³,Bistoni Giovanni¹²³^ORCID

Affiliation:

1. Max-Planck-Institut für Kohlenforschung

2. Mülheim an der Ruhr

3. Germany

Abstract

The coupled-cluster-based local energy decomposition (LED) analysis is used to elucidate the nature of the TM–alkane interaction in alkane σ-complexes.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01309A

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