Open-shell nature of non-IPR fullerene С40: isomers 29 (C2) and 40 (Td)
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04625-9
Abstract: It is well-known that the small non-IPR fullerenes Cn (n read more here.
Keywords: non ipr; isomers open; fullerene; shell nature ... See more keywords
Unveiled open-shell nature of an antiaromatic molecule by surface-molecule interaction: a concept suggestion by spin-projected density functional theory.
Sign Up to like & getrecommendations! Published in 2025 at "Chemical communications"
DOI: 10.1039/d5cc03530a
Abstract: Research on the physical properties of antiaromatic molecules lags behind that of aromatic molecules, despite their unique electronic structures. We propose to control the electronic states of antiaromatic molecules through surface adsorption. Ferro/antiferromagnetism can be… read more here.
Keywords: molecule; nature antiaromatic; open shell; surface ... See more keywords