Ab Initio Structures for 90°-Twisted s-trans-1,3-Butadiene and Cyclooctatetraene: The Naked sp2−sp2 Bond-Reference-Cited by-同舟云学术

Ab Initio Structures for 90°-Twisted s-trans-1,3-Butadiene and Cyclooctatetraene: The Naked sp2−sp2 Bond

Published:2008-02-15 Issue:11 Volume:112 Page:2131-2133
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Feller David¹,Craig Norman C.¹,Matlin Albert R.¹

Affiliation:

1. Department of Chemistry, Washington State University, Pullman, Washington 99164-4630, and Department of Chemistry and Biochemistry, Oberlin College, Oberlin, Ohio 44074

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp7097334

Reference9 articles.

1. Equilibrium Structures for Butadiene and Ethylene: Compelling Evidence for Π-Electron Delocalization in Butadiene

2. Probing the limits of accuracy in electronic structure calculations: Is theory capable of results uniformly better than “chemical accuracy”?

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