Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical p...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй

Үндсэн зохиолчид:	Luis R. Domingo, Mar Ríos-Gutiérrez, Patricia Pérez
Формат:	Artigo
Хэл сонгох:	Inglês
Хэвлэсэн:	MDPI AG 2016-06-01
Цуврал:	Molecules
Нөхцлүүд:	conceptual DFT reactivity indices molecular electron density theory electrophilicity nucleophilicity Parr functions
Онлайн хандалт:	http://www.mdpi.com/1420-3049/21/6/748
Шошгууд:	Шошго нэмэх Шошго байхгүй, Энэхүү баримтыг шошголох эхний хүн болох!