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A quantum informational approach for dissecting chemical reactions

Published:2015-02 Issue: Volume:621 Page:160-164
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Duperrouzel Corinne^ORCID,Tecmer Paweł,Boguslawski Katharina,Barcza Gergely,Legeza Örs,Ayers Paul W.^ORCID

Funder

Natural Sciences and Engineering Research Council of Canada

Hungarian Research Fund

McMaster Chemistry & Chemical Biology Summer Research Scholarship

Swiss National Science Foundation

Alexander von Humboldt Foundation

SHARCNET

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference50 articles.

1. Geometry of transition metal complexes with ethylene or allyl groups as the only ligands

2. Experimental and theoretical studies of Nin(C2H4)m. Synthesis, vibrational and electronic spectra, and generalized valence bond-configuration interaction studies. The metal atom chemistry and a localized bonding model for ethylene chemisorbed on bulk nickel

3. Singlet and triplet potential surfaces for the nickel-ethylene [Ni(C2H4)] complex. A CASSCF-CI study

4. Ruthenium-catalyzed [2 + 2] cross-addition of norbornene derivatives and dimethyl acetylenedicarboxylate

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