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Theoretical and computational aspects of magnetic organic molecules / Sambhu N Datta, Carl O. Trindle and Francesc Illas

By: Contributor(s): Material type: TextTextPublication details: London Imperial College Press 2014Description: x, 335 pages : illustrations (some color) ; 24 cmISBN:
  • 9781908977212 (hardcover : alk. paper)
  • 1908977213 (hardcover : alk. paper)
Subject(s): DDC classification:
  • 541.378 DAT-S
LOC classification:
  • QD591 .D38 2014
Contents:
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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Includes bibliographical references (pages 327-328) and index.

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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