INDO calculations of pyrimidine radicals—I conformation of the 5-thymyl radical

Autor:	Lin Nian-Yun, Li Xue-Peng, Zhang Jia-Shang, Liu Ren-Zhong, Tu Tie-Cheng
Rok vydání:	1980
Předmět:	Coupling constant chemistry.chemical_compound Radiation Pyrimidine Chemistry Computational chemistry Radical Physics::Atomic and Molecular Clusters Atomic coordinates
Zdroj:	Radiation Physics and Chemistry (1977). 16:445-446
ISSN:	0146-5724
DOI:	10.1016/0146-5724(80)90189-2
Popis:	Theoretical coupling constant of the 5-thymyl radical were calculated by the INDO method. The atomic coordinates of its conformation were obtained from a suggested “mixed geometrical model”. The calculated results agree satisfactory with the experimental data.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7209ff6b4bfca2b2382ded74eeefaefd https://doi.org/10.1016/0146-5724(80)90189-2 Zobrazit plný text záznamu