Calculation of Rotational Barriers of 4-Acyloxy-4’-N-N-Butylcarbamyloxy-Biphenyls by Molecular Calculation and Linear Free Energy Relationships

Autor:	Yu-Fang Shen, Shu-Hsien Lin, Gialih Lin, Chun-Yu Chiou, Gan-Hong Chen
Rok vydání:	2019
Předmět:	Physics symbols.namesake Gaussian Polar effect symbols Density functional theory General Medicine Reduced mass Molecular physics Energy (signal processing)
Zdroj:	Biomedical Journal of Scientific & Technical Research. 13
ISSN:	2574-1241
Popis:	Rotational barriers of ten 4-acyloxy-4'-N-n-butylcarbamyloxy-biphenyls were calculated by density functional theory. Linear free energy relationships between rotational barriers and reduced mass existed in these compounds...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::89609d8cac21841f4c04d8713d05826d https://doi.org/10.26717/bjstr.2019.13.002332 Zobrazit plný text záznamu