02670oam 2200493 450 991079097460332120190911112724.01-908977-22-1(OCoLC)869905707(MiFhGG)GVRL8QXY(EXLCZ)99255000000119148220131025h20142014 uy 0engurun|---uuuuatxtccrTheoretical 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, SpainLondon :Imperial College Press,[2014]�20141 online resource (x, 335 pages) illustrations (some color)Gale eBooksDescription based upon print version of record.1-908977-21-3 1-306-39654-9 Includes bibliographical references 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.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, anMagnetochemistryMolecular orbitalsMoleculesMagnetic propertiesMagnetochemistry.Molecular orbitals.MoleculesMagnetic properties.541/.378Datta Sambhu N1579304Trindle CarlIllas FrancescMiFhGGMiFhGGBOOK9910790974603321Theoretical and computational aspects of magnetic organic molecules3859318UNINA