Theoretical and computational aspects of magnetic organic molecules / / Sambhu N. Datta, Indian Institute of Technology, Bombay, India, Carl O. Trindle, University of Virginia, USA, Francesc Illas, Universitat de Barcelona, Spain
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| Autore: |
Datta Sambhu N
|
| Titolo: |
Theoretical and computational aspects of magnetic organic molecules / / Sambhu N. Datta, Indian Institute of Technology, Bombay, India, Carl O. Trindle, University of Virginia, USA, Francesc Illas, Universitat de Barcelona, Spain
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| Pubblicazione: | London : , : Imperial College Press, , [2014] |
| �2014 | |
| Descrizione fisica: | 1 online resource (x, 335 pages) : illustrations (some color) |
| Disciplina: | 541/.378 |
| Soggetto topico: | Magnetochemistry |
| Molecular orbitals | |
| Molecules - Magnetic properties | |
| Persona (resp. second.): | TrindleCarl |
| IllasFrancesc | |
| Note generali: | Description based upon print version of record. |
| Nota di bibliografia: | Includes bibliographical references and index. |
| Nota di contenuto: | Introduction to magnetism -- Organic molecules, radicals, and spin states -- Theoretical methodologies -- Molecular orbital description of magnetic organic systems -- Qualitative methods for predicting molecular spin states -- Quantum chemical calculations: structural trends -- Strongly coupled magnetic molecules -- Photomagnetic effects -- Transition metal complexes -- Computational studies of inorganic clusters and solid -- Systems -- A look ahead. |
| Sommario/riassunto: | Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, an |
| Titolo autorizzato: | Theoretical and computational aspects of magnetic organic molecules |
| ISBN: | 1-908977-22-1 |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910820246303321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |