Structural and vibrational characterization of di-hydrated hydrochloride tacrine combining DFT with SQMFF approach

This research is a continuation of previously reported article on anhydrous freebase, cationic and hydrochloride tacrine. Here, structures and properties of di-hydrated species of cholinesterase inhibitor tacrine have been studied in gas phase and aqueous solution by using B3LYP/6-311G* and wB97XD/6...

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Номзүйн дэлгэрэнгүй

Үндсэн зохиолчид:	Tom Sundius, Silvia Antonia Brandán
Формат:	Artigo
Хэл сонгох:	Inglês
Хэвлэсэн:	Elsevier 2023-10-01
Цуврал:	Heliyon
Нөхцлүүд:	Hydrochloride tacrine Di-hydrated structure Scaled force constants Vibrational study Hybrid calculations
Онлайн хандалт:	http://www.sciencedirect.com/science/article/pii/S2405844023081446
Шошгууд:	Шошго нэмэх Шошго байхгүй, Энэхүү баримтыг шошголох эхний хүн болох!