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Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems

Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems

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Bibliographic Details
Main Author: Mansikkamäki, Akseli, 1987- kirjoittaja
Format: Doctoral dissertation
Language:eng
Published: Jyväskylä : 2018.
Series:Research report / Department of Chemistry. University of Jyväskylä, no. 207.
Subjects:
molekyylit
magneettiset ominaisuudet
magnetismi
orgaaniset yhdisteet
organometalliyhdisteet
kompleksiyhdisteet
kvanttikemia
tiheysfunktionaaliteoria
molekyler
magnetiska egenskaper
magnetism
organiska föreningar
metallorganiska föreningar
koordinationsföreningar
kvantkemi
täthetsfunktionalteori
molecular magnetism
single-molecule magnets
organic magnets
endohedral metallo-fullerenes
lanthanides
magnetic anisotropy
exchange interaction
spin-orbit coupling
quantum chemistry
broken symmetry DFT
DFT
CASSCF
CASPT2
NEVPT2
Online Access:Yhteenveto-osa
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Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems

Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems by Mansikkamäki, Akseli, 1987- kirjoittaja

Published 2018
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Doctoral dissertation
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