03082nam 2200637 450 991045361140332120200520144314.01-908977-22-1(CKB)2550000001191482(EBL)1611981(SSID)ssj0001039963(PQKBManifestationID)11537571(PQKBTitleCode)TC0001039963(PQKBWorkID)11000902(PQKB)10388189(MiAaPQ)EBC1611981(WSP)0000P885(Au-PeEL)EBL1611981(CaPaEBR)ebr10832736(CaONFJC)MIL570905(OCoLC)870245922(EXLCZ)99255000000119148220131025h20142014 uy| 0engur|n|---|||||txtccrTheoretical 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)London :Imperial College Press,[2014]©20141 online resource (346 p.)Description 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 propertiesElectronic books.Magnetochemistry.Molecular orbitals.MoleculesMagnetic properties.541/.378Datta Sambhu N991862Trindle Carl991863Illas Francesc991864MiAaPQMiAaPQMiAaPQBOOK9910453611403321Theoretical and computational aspects of magnetic organic molecules2269967UNINA