Interconversion and Rearrangement of the Radical Cations of Methylenecyclopropane, 1,4-Bis(methylene)cyclohexane, Tricyclo[2.2.2.0]octane, Dispiro[2.0.2.2]octane, and Dispiro[2.1.2.1]octane. 1. Theoretical Studies

Autor:	H. J. P. de Lijser, Donald R. Arnold
Rok vydání:	1996
Předmět:	chemistry.chemical_compound Cyclohexane chemistry Computational chemistry General Engineering Ab initio Molecular orbital Physical and Theoretical Chemistry Methylene Photochemistry Methylenecyclopropane Isomerization Octane
Zdroj:	The Journal of Physical Chemistry. 100:3996-4010
ISSN:	1541-5740 0022-3654
DOI:	10.1021/jp953135d
Popis:	The isomerization and rearrangement of the radical cations of the title compounds were studied using semiempirical (AM1) and ab initio (HF/6-31G*) molecular orbital calculations. The energetics for...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9adad25955e74e50d9fbb9df928eedd2 https://doi.org/10.1021/jp953135d Zobrazit plný text záznamu