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Record Nr. |
UNINA9910790974603321 |
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Autore |
Datta Sambhu N |
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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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Pubbl/distr/stampa |
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London : , : Imperial College Press, , [2014] |
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�2014 |
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ISBN |
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Descrizione fisica |
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1 online resource (x, 335 pages) : illustrations (some color) |
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Collana |
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Disciplina |
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Soggetti |
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Magnetochemistry |
Molecular orbitals |
Molecules - Magnetic properties |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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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. |
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Sommario/riassunto |
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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 |
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