Computational Methods for the Analysis of Non-Covalent Interactions
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 e...
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| Format: | Elektronski eKnjiga |
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Cham :
Springer Nature Switzerland : Imprint: Springer,
2025.
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| Izdaja: | 1st ed. 2025. |
| Serija: | Structure and Bonding,
190 |
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| Online dostop: | https://doi.org/10.1007/978-3-032-01543-3 |
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| 245 | 1 | 0 | |a Computational Methods for the Analysis of Non-Covalent Interactions |h [electronic resource] / |c edited by Carlos Martín-Fernández, Stuart A. Macgregor. |
| 250 | |a 1st ed. 2025. | ||
| 264 | 1 | |a Cham : |b Springer Nature Switzerland : |b Imprint: Springer, |c 2025. | |
| 300 | |a 1 online resource (VII, 314 p. 20 illus.). | ||
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| 490 | 1 | |a Structure and Bonding, |x 1616-8550 ; |v 190 | |
| 505 | 0 | |a Interpreting Non Covalent Bonds with the Block Localized Wave Function (BLW) Method -- Local Energy Decomposition of Coupled Cluster Energies Principles and Applications -- Electron Density based Energy Decomposition Analysis from QM to QM/MM calculations -- GKS EDA method for intermolecular interactions in complex systems -- SAPT and many body dispersion: Intermolecular interactions at cubic scaling cost -- Survey of contemporary applications of Quantum Chemical Topology -- The Interpenetration Index and its applications in chemistry -- Exhibiting noncovalent interactions in dynamic environments using aIGM method. | |
| 520 | |a 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. | ||
| 532 | 8 | |a Accessibility summary: This PDF has been created in accordance with the PDF/UA-1 standard to enhance accessibility, including screen reader support, described non-text content (images, graphs), bookmarks for easy navigation, keyboard-friendly links and forms and searchable, selectable text. We recognize the importance of accessibility, and we welcome queries about accessibility for any of our products. If you have a question or an access need, please get in touch with us at accessibilitysupport@springernature.com. Please note that a more accessible version of this eBook is available as ePub. | |
| 532 | 8 | |a No reading system accessibility options actively disabled | |
| 532 | 8 | |a Publisher contact for further accessibility information: accessibilitysupport@springernature.com | |
| 588 | |a Print version record. | ||
| 650 | 0 | |a Chemistry |x Data processing. | |
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 0 | |a Coordination compounds. | |
| 650 | 0 | |a Organometallic chemistry . | |
| 650 | 0 | |a Inorganic chemistry. | |
| 650 | 0 | |a Bioinorganic chemistry. | |
| 650 | 1 | 4 | |a Computational Chemistry. |
| 650 | 2 | 4 | |a Quantum Chemistry. |
| 650 | 2 | 4 | |a Coordination Chemistry. |
| 650 | 2 | 4 | |a Organometallic Chemistry. |
| 650 | 2 | 4 | |a Main-Group Chemistry. |
| 650 | 2 | 4 | |a Bioinorganic Chemistry. |
| 700 | 1 | |a Martín-Fernández, Carlos. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Macgregor, Stuart A. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
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| 830 | 0 | |a Structure and Bonding, |x 1616-8550 ; |v 190 | |
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