Bond orders and energy components : extracting chemical information from molecular wave functions / / Istvan Mayer, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, Hungary
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| Autore: |
Mayer Istvan <1943, >
|
| Titolo: |
Bond orders and energy components : extracting chemical information from molecular wave functions / / Istvan Mayer, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, Hungary
|
| Pubblicazione: | Boca Raton : , : Taylor & Francis, , [2017] |
| ©2017 | |
| Descrizione fisica: | 1 online resource (240 pages) : illustrations |
| Disciplina: | 541/.22 |
| Soggetto topico: | Wave functions |
| Chemical bonds | |
| Chemical structure | |
| Quantum chemistry | |
| Note generali: | A CRC title. |
| Nota di bibliografia: | Includes bibliographical references and index. |
| Nota di contenuto: | 1. Introduction -- 2. Basic ideas of Hilbert space analysis -- 3. A common framework : atomic resolution of identity -- 4. Analysis of the first-order density in Hilbert space -- 5. Effective AOs and effective minimal basis sets -- 6. Bond order and valence indices in the Hilbert space -- 7. Open-shell systems and local spins -- 8. Energy components in the Hilbert space -- 9. Analysis in the three-dimensional space. |
| Titolo autorizzato: | Bond orders and energy components |
| ISBN: | 1-315-35720-8 |
| 1-315-37489-7 | |
| 1-4200-9012-7 | |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910136140503321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |