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Topological approaches to the chemical bond

Record Type:	Electronic resources : Monograph/item
Title/Author:	Topological approaches to the chemical bondby Angel Martin Pendas, Julia Contreras-García.
Author:	Pendas, Angel Martín.
other author:	Contreras-Garcia, Julia.
Published:	Cham :Springer International Publishing :2023.
Description:	xxii, 407 p. :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
Subject:	Quantum chemistry.
Online resource:	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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505 0 $a 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.
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