Semi-empirical theoretical study of the ground state spin of a series of non-alternant non-Kekulé molecules

dc.contributor.author	Radhakrishnan, T. P.
dc.date.accessioned	2022-03-27T08:54:49Z
dc.date.available	2022-03-27T08:54:49Z
dc.date.issued	1993-05-14
dc.description.abstract	The ground state spins of an interesting class of non-Kekulé molecules are predicted to be different from that obtained using simple Hückel molecular orbital theory and Hund's rule. These predictions based on a general rule proposed recently are verified using semi-empirical AM1/CI calculations. These molecules are of potential use in developing a new class of magnetic polymers. © 1993.
dc.identifier.citation	Chemical Physics Letters. v.207(1)
dc.identifier.issn	00092614
dc.identifier.uri	10.1016/0009-2614(93)85003-7
dc.identifier.uri	https://www.sciencedirect.com/science/article/abs/pii/0009261493850037
dc.identifier.uri	https://dspace.uohyd.ac.in/handle/1/12070
dc.title	Semi-empirical theoretical study of the ground state spin of a series of non-alternant non-Kekulé molecules
dc.type	Journal. Article
dspace.entity.type

Now showing 1 - 1 of 1