Theoretical appraisements on the interaction behaviour of amphetamine, ketamine and mercaptopurine drug molecules over C24 fullerene: A combined dispersion corrected DFT and MD simulation study

Autor:	Sourav Kanti Jana, Narayan N. Som, Prafulla K. Jha
Rok vydání:	2023
Předmět:	Materials Chemistry Physical and Theoretical Chemistry Condensed Matter Physics Spectroscopy Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials
Zdroj:	Journal of Molecular Liquids. 383:122084
ISSN:	0167-7322
DOI:	10.1016/j.molliq.2023.122084
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::49383819b42117575ff0f74429386731 https://doi.org/10.1016/j.molliq.2023.122084 Zobrazit plný text záznamu Full Text from ScienceDirect