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000778645 019__ $$a967319164$$a974649690
000778645 020__ $$a9783319498294$$q(electronic book)
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000778645 0247_ $$a10.1007/978-3-319-49829-4$$2doi
000778645 035__ $$aSP(OCoLC)ocn967268712
000778645 035__ $$aSP(OCoLC)967268712$$z(OCoLC)967319164$$z(OCoLC)974649690
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000778645 049__ $$aISEA
000778645 050_4 $$aQD462
000778645 08204 $$a541/.28$$223
000778645 1001_ $$aAoki, Yuriko.
000778645 24510 $$aQuantum chemical approach for organic ferromagnetic material design /$$cYuriko Aoki, Yuuichi Orimoto, Akira Imamura.
000778645 260__ $$aCham :$$bSpringer,$$c2017.
000778645 300__ $$a1 online resource.
000778645 336__ $$atext$$btxt$$2rdacontent
000778645 337__ $$acomputer$$bc$$2rdamedia
000778645 338__ $$aonline resource$$bcr$$2rdacarrier
000778645 347__ $$atext file$$bPDF$$2rda
000778645 4901_ $$aSpringerBriefs in molecular science, Electrical and magnetic properties of atoms, molecules, and clusters
000778645 504__ $$aIncludes bibliographical references.
000778645 506__ $$aAccess limited to authorized users.
000778645 520__ $$aThis brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors' approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed. This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
000778645 650_0 $$aQuantum chemistry.
000778645 650_0 $$aFerromagnetic materials.
000778645 650_0 $$aChemistry.
000778645 650_0 $$aChemistry, Physical and theoretical.
000778645 650_0 $$aMagnetism.
000778645 650_0 $$aMagnetic materials.
000778645 7001_ $$aOrimoto, Yuuichi.
000778645 7001_ $$aImamura, Akira.
000778645 77608 $$iPrint version:$$z3319498274$$z9783319498270$$w(OCoLC)961415242
000778645 830_0 $$aSpringerBriefs in molecular science.$$pElectrical and magnetic properties of atoms, molecules, and clusters.
000778645 852__ $$bebk
000778645 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-319-49829-4$$zOnline Access$$91397441.1
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000778645 980__ $$aEBOOK
000778645 980__ $$aBIB
000778645 982__ $$aEbook
000778645 983__ $$aOnline
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