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Calculation of magnetic coupling constants with hybrid density functionals by Mansikkamäki, Akseli
Published 2013Master's thesis -
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Calculation of magnetic coupling constants with hybrid density functionals by Mansikkamäki, Akseli, 1987- kirjoittaja
Published 2013Call Number: Loading…JYX-julkaisuarkisto / JYX Digital Archive
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Master's thesis -
3
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems by Mansikkamäki, Akseli, 1987- kirjoittaja
Published 2018Call Number: Loading…JYX-julkaisuarkisto / JYX Digital Archive
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Doctoral dissertation -
4
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems by Mansikkamäki, Akseli, 1987- kirjoittaja
Published 2018Call Number: Loading…Yhteenveto-osa
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Doctoral dissertation
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Related Subjects
DFT
CASPT2
CASSCF
NEVPT2
broken symmetry DFT
endohedral metallo-fullerenes
exchange interaction
kompleksiyhdisteet
kvanttikemia
kytkentä
lanthanides
magneettiset ominaisuudet
magnetic anisotropy
magnetismi
molecular magnetism
molekyylit
orgaaniset yhdisteet
organic magnets
organometalliyhdisteet
quantum chemistry
single-molecule magnets
spin-orbit coupling
tiheysfunktionaaliteoria
hybrid functionals
koordinationsföreningar
kvantkemi
magnetic coupling
magnetic coupling constants
magnetiska egenskaper
magnetism