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Topological approaches to the chemical bond

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Topological approaches to the chemical bondby Angel Martin Pendas, Julia Contreras-García.
作者:	Pendas, Angel Martín.
其他作者:	Contreras-Garcia, Julia.
出版者:	Cham :Springer International Publishing :2023.
面頁冊數:	xxii, 407 p. :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Quantum chemistry.
電子資源:	https://doi.org/10.1007/978-3-031-13666-5
ISBN:	9783031136665$q(electronic bk.)

Topological approaches to the chemical bond
Pendas, Angel Martín.

Topological approaches to the chemical bond[electronic resource] /by Angel Martin Pendas, Julia Contreras-García. - Cham :Springer International Publishing :2023. - xxii, 407 p. :ill., digital ;24 cm. - Theoretical chemistry and computational modelling,2214-4722. - Theoretical chemistry and computational modelling..

Introduction -- Topological spaces -- Part I Descriptors -- The electron density -- Electron pairing descriptors -- Weak interactions -- Part II Applications -- Molecules -- Solid state -- Part III Exercises -- Algorithms & software -- Exercises -- Solutions.

This graduate textbook provides comprehensive information on topological analysis in real space of the electronic structure. Application of the topological tools is becoming routine for understanding the outcome of quantum chemical calculations. This title thoroughly reviews a selection of currently available topological tools, their use and spectrum of applications and provides graduate students and researchers with information not easily obtained from the available textbooks. The book is accompanied by worked examples, exercises and solutions and is a great tool for any quantum chemistry or computational chemistry course at the graduate and advanced undergraduate levels.

ISBN: 9783031136665$q(electronic bk.)

Standard No.: 10.1007/978-3-031-13666-5doiSubjects--Topical Terms:

194339
Quantum chemistry.

LC Class. No.: QD462 / .P45 2023

Dewey Class. No.: 541.28

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