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Computational Methods for the Analysis of Non-Covalent Interactions.
・ISBN 978-3-032-01542-6 hard EUR 169.99
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| 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.