Autor:	V. A. Shlyapochnikov, D. V. Levchenkov, A. B. Kharitonkin
Rok vydání:	2001
Předmět:	chemistry.chemical_compound chemistry Computational chemistry Molecule General Chemistry Trinitromethane
Zdroj:	Russian Chemical Bulletin. 50:385-389
ISSN:	1066-5285
Popis:	The molecular structures of trinitromethane derivatives XC(NO2)3 (X = F, Cl, Br, NC, NF2, N3) were studied using the density functional approach. The rules for changing the configurations of substituents in these compounds were revealed. Acceptability of the method employed for the calculations of trinitromethane derivatives is discussed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::fc46a4323348896f9e85a89e87dc59ed https://doi.org/10.1023/a:1011336502207 Zobrazit plný text záznamu Full text from SpringerLink