Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies.
A. Karton, and L. Goerigk. Journal of Computational Chemistry, 36 (9):
622-632(2015)
Please log in to take part in the discussion (add own reviews or comments).
Cite this publication
More citation styles
- please select -
%0 Journal Article
%1 journals/jcc/KartonG15
%A Karton, Amir
%A Goerigk, Lars
%D 2015
%J Journal of Computational Chemistry
%K dblp
%N 9
%P 622-632
%T Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies.
%U http://dblp.uni-trier.de/db/journals/jcc/jcc36.html#KartonG15
%V 36
@article{journals/jcc/KartonG15,
added-at = {2018-11-14T00:00:00.000+0100},
author = {Karton, Amir and Goerigk, Lars},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2cb0048a6e7cee1a0dd6217af30b49e55/dblp},
ee = {https://www.wikidata.org/entity/Q58201147},
interhash = {11b20fe2409118b427bb76b9824d9d38},
intrahash = {cb0048a6e7cee1a0dd6217af30b49e55},
journal = {Journal of Computational Chemistry},
keywords = {dblp},
number = 9,
pages = {622-632},
timestamp = {2019-09-27T06:59:07.000+0200},
title = {Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies.},
url = {http://dblp.uni-trier.de/db/journals/jcc/jcc36.html#KartonG15},
volume = 36,
year = 2015
}
