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Topological Approaches to the Chemical Bond / by Ángel Martín Pendás, Julia Contreras-García

By: Contributor(s): Resource type: Ressourcentyp: Buch (Online)Book (Online)Language: English Series: Theoretical Chemistry and Computational ModellingPublisher: Cham : Springer International Publishing, 2023Publisher: Cham : Imprint: Springer, 2023Edition: 1st ed. 2023Description: 1 Online-Ressource(XXII, 407 p. 173 illus., 141 illus. in color.)ISBN:
  • 9783031136665
Subject(s): Additional physical formats: 9783031136658 | 9783031136672 | 9783031136689 | Erscheint auch als: 9783031136658 Druck-Ausgabe | Erscheint auch als: 9783031136672 Druck-Ausgabe | Erscheint auch als: 9783031136689 Druck-AusgabeDDC classification:
  • 541.2 23
DOI: DOI: 10.1007/978-3-031-13666-5Online resources: Summary: 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.Summary: 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.PPN: PPN: 1837692335Package identifier: Produktsigel: ZDB-2-SEB | ZDB-2-CMS | ZDB-2-SXC
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