ARTICLE
|
doi:10.20944/preprints202201.0095.v2
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
antioxidant activity; eearomatization; frontier molecular orbital; fukui function f0; DFT
Online: 3 February 2022 (15:19:51 CET)
ARTICLE
|
doi:10.20944/preprints202201.0219.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Diels-Alder reaction, AMADAR, reaction force analysis, natural population analysis, Hell-man-Feynman forces
Online: 14 January 2022 (16:53:36 CET)