LEADER 02670oam 2200493 450 001 9910790974603321 005 20190911112724.0 010 $a1-908977-22-1 035 $a(OCoLC)869905707 035 $a(MiFhGG)GVRL8QXY 035 $a(EXLCZ)992550000001191482 100 $a20131025h20142014 uy 0 101 0 $aeng 135 $aurun|---uuuua 181 $ctxt 182 $cc 183 $acr 200 10$aTheoretical and computational aspects of magnetic organic molecules /$fSambhu N. Datta, Indian Institute of Technology, Bombay, India, Carl O. Trindle, University of Virginia, USA, Francesc Illas, Universitat de Barcelona, Spain 210 1$aLondon :$cImperial College Press,$d[2014] 210 4$d?2014 215 $a1 online resource (x, 335 pages) $cillustrations (some color) 225 0 $aGale eBooks 300 $aDescription based upon print version of record. 311 $a1-908977-21-3 311 $a1-306-39654-9 320 $aIncludes bibliographical references and index. 327 $aIntroduction 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. 330 $aOrganic 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 606 $aMagnetochemistry 606 $aMolecular orbitals 606 $aMolecules$xMagnetic properties 615 0$aMagnetochemistry. 615 0$aMolecular orbitals. 615 0$aMolecules$xMagnetic properties. 676 $a541/.378 700 $aDatta$b Sambhu N$01579304 702 $aTrindle$b Carl 702 $aIllas$b Francesc 801 0$bMiFhGG 801 1$bMiFhGG 906 $aBOOK 912 $a9910790974603321 996 $aTheoretical and computational aspects of magnetic organic molecules$93859318 997 $aUNINA