The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study

Author:

Eckert-Maksić Mirjana1,Lischka Hans1,Maksić Zvonimir B.1,Vazdar Mario1

Affiliation:

1. Laboratory for Physical Organic Chemistry, Division of Organic Chemistry and Biochemistry, Rudjer Bošković Institute, POB 108, HR-10002 Zagreb, Croatia, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nam. 2, CZ-16610 Prague 6, Czech Republic, Institute for Theoretical Chemistry, University of Vienna, Währingerstrasse 17, A-1090 Vienna, Austria, and Quantum Organic Chemistry Group, Division of Organic Chemistry and Biochemistry, Rudjer Bošković...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Reference61 articles.

1. Ueber Polyacetylenverbindungen

2. Antiaromaticity of cyclopropenyl anions

3. Antiaromaticity

4. Eckert-Maksić, M.; Maksić, Z. B.InThe Chemistry of Cyclobutanes;Rappoport, Z.; Liebman, J. F., Eds.John Wiley:Chichester, 2005; p16.

5. The Heat of Formation of Cyclobutadiene

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