Application of the CNDO/S method to calculation of the electronic structure of hexagonal boron nitride

Autor:	V. V. Lopatin, V. P. Shcherbina
Rok vydání:	1992
Předmět:	Inorganic Chemistry CNDO/2 Solid-state physics Computational chemistry Materials Chemistry Cluster (physics) Hexagonal boron nitride Electronic structure Physical and Theoretical Chemistry Molecular physics
Zdroj:	Journal of Structural Chemistry. 32:596-598
ISSN:	1573-8779 0022-4766
Popis:	The present work was devoted to investigation of the possibilities and the reliability of the semiempirical CNDO/S method for calculation of the simple clusters of hexagonal boron nitride. Experimental data are available and band and cluster calculations have been conducted. 12 refs., 1 fig. 1 tab.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9725b4ee8cdb63477e48fdff904f5e94 https://doi.org/10.1007/bf00753043 Zobrazit plný text záznamu Full text from SpringerLink