Overview
- Written for advanced undergraduates and masters students
- Includes worked examples, exercises and solutions
- Takes a didactic approach
Part of the book series: Theoretical Chemistry and Computational Modelling (TCCM)
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About this book
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.
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Keywords
- Chemical bond
- Chemical bond book
- Atoms in molecules
- Topological approach in molecules
- Quantum chemical topology
- Chemical topology
- Chemical Bonding Theory
- Topology of electron density
- Topological approach chemistry
- Topological Methods in Chemistry
- Quantum theory of atoms in molecules
- Topological approach in solids
- QTAIM
- Computational chemistry
- Theoretical Chemistry and Computational Modelling
- European Masters Course Theoretical Chemistry
Table of contents (10 chapters)
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Front Matter
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Descriptors
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Front Matter
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Applications
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Front Matter
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Exercises
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Front Matter
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Back Matter
Authors and Affiliations
About the authors
Dr. Ángel Martín Pendás is a permanent professor at the University of Oviedo. His research focuses on methodological developments in theoretical chemistry, starting from the introduction of local methods for the treatment of crystalline solids during his doctoral years to fundamental aspects in the theory of chemical bonding in real space. His research group in Oviedo is considered as one of the pillars in the development of new ideas in quantum chemical topology (QCT). Prof. Pendás is an author of more than 150 papers and book chapters.
Dr. Julia Contreras-García is based at the Sorbonne University. Her research is focused on the understanding of electronic structure, and its interplay with the energy and properties of the system. Besides this she works on the development, implementation and application of topological tools to analyze the chemical bond in real space, as opposed to Hilbert space - very common in molecules, or reciprocal space, very common in solids. Dr. Contreras-Garcia is an editorial board member of the journal Computational and Theoretical Chemistry and has authored more than 100 publications.
Bibliographic Information
Book Title: Topological Approaches to the Chemical Bond
Authors: Ángel Martín Pendás, Julia Contreras-García
Series Title: Theoretical Chemistry and Computational Modelling
DOI: https://doi.org/10.1007/978-3-031-13666-5
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerland AG 2023
Hardcover ISBN: 978-3-031-13665-8Published: 23 February 2023
Softcover ISBN: 978-3-031-13668-9Published: 24 February 2024
eBook ISBN: 978-3-031-13666-5Published: 22 February 2023
Series ISSN: 2214-4714
Series E-ISSN: 2214-4722
Edition Number: 1
Number of Pages: XXII, 407
Number of Illustrations: 32 b/w illustrations, 141 illustrations in colour
Topics: Theoretical and Computational Chemistry, Mathematical Applications in the Physical Sciences, Math. Applications in Chemistry, Physical Chemistry