The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study-Reference-Cited by-同舟云学术

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

Published:2009-07-01 Issue:29 Volume:113 Page:8351-8358
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

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

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9015273

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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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