ARTICLE
|
doi:10.20944/preprints202108.0499.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Clusters; planar tetracoordinate carbon (ptC); local and global aromaticity; chemical bonding; orbital localization; electron localization function (ELF); electron delocalization; current density analysis.
Online: 25 August 2021 (16:31:03 CEST)
ARTICLE
|
doi:10.20944/preprints202204.0115.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
boron; fullerenes; chemical bond; electronic structure; DFT; localization; bond order; QTAIM; ELF; Hückeloid model; heat of formation
Online: 13 April 2022 (04:30:00 CEST)