Quantum Chemical Modeling of Mechanical Properties of Aspirin Polymorphic Modifications

Autor:	Abdenacer Idrissi, Victoriya V. Urzhuntseva, Svitlana V. Shishkina, Yevhenii A. Vaksler
Rok vydání:	2021
Předmět:	Quantum chemical Aspirin Materials science 010405 organic chemistry General Chemistry Computer Science::Computational Geometry 010402 general chemistry Condensed Matter Physics 01 natural sciences 0104 chemical sciences Computational chemistry medicine General Materials Science medicine.drug
Zdroj:	Crystal Growth & Design. 21:2176-2186
ISSN:	1528-7505 1528-7483
DOI:	10.1021/acs.cgd.0c01613
Popis:	Being well studied, I and II polymorphic structures of aspirin are very suitable for testing a new method to study mechanical properties using quantum chemical calculations. The proposed method con...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::dd74e09735eefe7af2ed92956f506508 https://doi.org/10.1021/acs.cgd.0c01613 Zobrazit plný text záznamu