LEADER 03082nam 2200637 450 001 9910453611403321 005 20200520144314.0 010 $a1-908977-22-1 035 $a(CKB)2550000001191482 035 $a(EBL)1611981 035 $a(SSID)ssj0001039963 035 $a(PQKBManifestationID)11537571 035 $a(PQKBTitleCode)TC0001039963 035 $a(PQKBWorkID)11000902 035 $a(PQKB)10388189 035 $a(MiAaPQ)EBC1611981 035 $a(WSP)0000P885 035 $a(Au-PeEL)EBL1611981 035 $a(CaPaEBR)ebr10832736 035 $a(CaONFJC)MIL570905 035 $a(OCoLC)870245922 035 $a(EXLCZ)992550000001191482 100 $a20131025h20142014 uy| 0 101 0 $aeng 135 $aur|n|---||||| 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$dİ2014 215 $a1 online resource (346 p.) 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 608 $aElectronic books. 615 0$aMagnetochemistry. 615 0$aMolecular orbitals. 615 0$aMolecules$xMagnetic properties. 676 $a541/.378 700 $aDatta$b Sambhu N$0991862 701 $aTrindle$b Carl$0991863 701 $aIllas$b Francesc$0991864 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910453611403321 996 $aTheoretical and computational aspects of magnetic organic molecules$92269967 997 $aUNINA