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Titlebook: Topological Approaches to the Chemical Bond; Ángel Martín Pendás,Julia Contreras-García Textbook 2023 The Editor(s) (if applicable) and Th

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发表于 2025-3-21 17:39:59 | 显示全部楼层 |阅读模式
书目名称Topological Approaches to the Chemical Bond
编辑Ángel Martín Pendás,Julia Contreras-García
视频video
概述Written for advanced undergraduates and masters students.Includes worked examples, exercises and solutions.Takes a didactic approach
丛书名称Theoretical Chemistry and Computational Modelling
图书封面Titlebook: Topological Approaches to the Chemical Bond;  Ángel Martín Pendás,Julia Contreras-García Textbook 2023 The Editor(s) (if applicable) and Th
描述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..
出版日期Textbook 2023
关键词Chemical bond; Chemical bond book; Atoms in molecules; Topological approach in molecules; Quantum chemic
版次1
doihttps://doi.org/10.1007/978-3-031-13666-5
isbn_softcover978-3-031-13668-9
isbn_ebook978-3-031-13666-5Series ISSN 2214-4714 Series E-ISSN 2214-4722
issn_series 2214-4714
copyrightThe Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl
The information of publication is updating

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发表于 2025-3-21 22:24:26 | 显示全部楼层
Electron Pairing Descriptorst scalars in real space that sense these different behaviors. We pay especial attention to the electron localization function (ELF), which has been widely used in the literature. Several interpretations of ELF are put forward, and its relation to Gillespie’s valence shell electron pair repulsion (VSEPR) model examined.
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Textbook 2023ed 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..
发表于 2025-3-22 15:28:09 | 显示全部楼层
2214-4714 duate 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 availab
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Topological Spaces,will be introduced are well known from introductory courses in Mathematical Analysis (i.e. critical points of many-variables functions and their characterization by means of the Hessian matrix), while others (i.e. the axiomatic definition of a topological space) will be probably less familiar to the
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