Many Density Functional Theory Approaches Fail To Give Reliable Large Hydrocarbon Isomer Energy Differences-Reference-Cited by-同舟云学术

Many Density Functional Theory Approaches Fail To Give Reliable Large Hydrocarbon Isomer Energy Differences

Published:2006-07-27 Issue:17 Volume:8 Page:3635-3638
ISSN:1523-7060
Container-title:Organic Letters
language:en
Short-container-title:Org. Lett.

Author:

Schreiner Peter R.¹,Fokin Andrey A.¹,Pascal, Robert A.¹,de Meijere Armin¹

Affiliation:

1. Institute of Organic Chemistry, Justus-Liebig University Giessen, Heinrich-Buff-Ring 58, 35392 Giessen, Germany, Princeton University, Department of Chemistry, Princeton, New Jersey 08544, and Institute of Organic and Biomolecular Chemistry, Georg-August University Göttingen, Tammannstr. 2, 37077 Göttingen, Germany

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ol0610486

Reference15 articles.

1. The Study of Planarized and Planar Cyclohexane Rings on the Basis of Molecular Mechanics

2. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

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