A DFT study of an organocatalytic enantioselective Mannich reaction under the sway of noncovalent interactions
author
Metsala, Andrus
Kriis, Kadri
Kanger, Tõnis
statement of authorship
Andrus Metsala, Kadri Kriis, Tõnis Kanger
source
Journal of computational chemistry
publisher
Wiley
journal volume number month
vol. 46, 17
year of publication
2025
pages
art. e70159
url
https://doi.org/10.1002/jcc.70159
subject term
arvutuskeemia
tihedusfunktsionaali teooria
halogeenid
vesinikside
interaktsioonid
katalüüs
keyword
computational chemistry
density functional calculations
halogen bonds
hydrogen bonds
noncovalent interactions
organocatalysis
ISSN
0192-8651
scientific publication
teaduspublikatsioon
classifier
1.1
Scopus
scopus
TalTech department
keemia ja biotehnoloogia instituut
Department of Chemistry and Biotechnology
language
English
Inglise