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Computational Methods for the Analysis of Non-Covalent Interactions.

Computational Methods for the Analysis of Non-Covalent Interactions.

・ISBN 978-3-032-01542-6 hard EUR 169.99

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お気に入り
著者・編者Martin-Fernandez, Carlos / Macgregor, Stuart A. (eds.),
シリーズ (Structure and Bonding)
出版社 (Springer Nature Switzerland AG, SZ)
出版年月2025
ページ数314 pp.
言語ENG
ニュース番号<A04-76156>

解説

This volume showcases state-of-the-art computational methodologies for the description and analysis of non-covalent interactions. Each chapter focusses on a specific approach, outlining a theoretical framework for the method in hand that is then illustrated by cutting-edge applications. A range of energy decomposition analyses and real-space topological and geometrical schemes are covered, providing a menu of approaches from which to draw insight into non-covalent interactions. The book serves as a comprehensive resource for computational chemists, as well as experimental chemists seeking to understand how computational techniques can be applied in their research.