Use of the group theory for classification of electronic states of acetylene

Autor:	Jerosimić Stanka V., Perić Miljenko N.
Jazyk:	angličtina
Rok vydání:	2003
Předmět:	group theory walsh diagrams classification of electronic states acetylene. Chemistry QD1-999
Zdroj:	Journal of the Serbian Chemical Society, Vol 68, Iss 4-5, Pp 363-381 (2003)
Druh dokumentu:	article
ISSN:	0352-5139 1820-7421
DOI:	10.2298/JSC0305363J
Popis:	The electronic states of the acetylene molecule are classified employing the group theory combined with the use of the Walsh diagrams and some elementary quantum chemical considerations. The results of this analysis are compared with those obtained by explicit ab initio calculations. It is shown that the global structure of the electronic spectrum can be reproduced/predicted without carrying out detailed ab initio calculations. .
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/6eda0fbe2340423e86dc88358a2a5e74 Zobrazit plný text záznamu View record in DOAJ