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Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine) 2 (CN) 2 ]

• Authors : Kjær, Kasper Skov; Zhang, Wenkai; Alonso-Mori, Roberto

Subjects: Monte Carlo methods; Emission spectra; Absorption spectra

• Source: Kjær , K S , Zhang , W , Alonso-Mori , R , Bergmann , U , Chollet , M , Hadt , R G , Hartsock , R W , Harlang , T C B , Kroll , T , Kubiček , K , Lemke , H T , Liang , H W , Liu , Y , Nielsen , M M

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Iron(II) and Iron(III) Spin Crossover: Toward an Optimal Density Functional

• Authors : Sørensen Siig, Oliver; Planeta Kepp, Kasper

• Source: Sørensen Siig , O & Planeta Kepp , K 2018 , ' Iron(II) and Iron(III) Spin Crossover: Toward an Optimal Density Functional ' , Journal of

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Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

• Authors : Zhang, Wenkai; Kjær, Kasper Skov; Alonso-Mori, Roberto

• Source: Zhang , W , Kjær , K S , Alonso-Mori , R , Bergmann , U , Chollet , M , Fredin , L A , Hadt , R G , Hartsock , R W , Harlang , T , Kroll , T , Kubiček , K , Lemke , H T , Liang , H W , Liu , Y ,

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Theoretical Study of Spin Crossover in 30 Iron Complexes

• Authors : Kepp, Kasper Planeta

• Source: Kepp , K P 2016 , ' Theoretical Study of Spin Crossover in 30 Iron Complexes ' , Inorganic Chemistry , vol. 55 , no. 6 , pp. 2717-2727 .

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Heme: From quantum spin crossover to oxygen manager of life

• Authors : Kepp, Kasper Planeta

Subjects: Back-bonding; DFT; Electronic structure

• Source: Kepp , K P 2016 , ' Heme: From quantum spin crossover to oxygen manager of life ' , Coordination Chemistry Reviews , vol. 344 , pp.

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A Mononuclear Fe(III) Single Molecule Magnet with a 3/2↔5/2 Spin Crossover

• Authors : Mossin, Susanne L.; Tran, Ba L.; Adhikari, Debashis

• Source: Mossin , S L , Tran , B L , Adhikari , D , Pink , M , Heinemann , F W , Sutter , J , Szilagyi , R K , Meyer , K & Mindiola , D J 2012 , ' A Mononuclear Fe(III) Single Molecule Magnet with a 3/2↔5/2

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Understanding Pressure Effects on Structural, Optical, and Magnetic Properties of CsMnF 4 and Other 3d n Compounds

• Authors : Santamaría, Guillermo; Fernández-Ruiz, Toraya; García-Lastra, Juan María

• Source: Santamaría , G , Fernández-Ruiz , T , García-Lastra , J M , García-Fernández , P , Sánchez-Movellán , I , Moreno , M & Aramburu , J A 2024 , ' Understanding Pressure Effects on Structural,

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Tunable spin and conductance in porphyrin-graphene nanoribbon hybrids

• Authors : Gao, Fei; Menchón, Rodrigo E.; Garcia-Lekue, Aran

• Source: Gao , F , Menchón , R E , Garcia-Lekue , A & Brandbyge , M 2023 , ' Tunable spin and conductance in porphyrin-graphene nanoribbon hybrids ' , Communications Physics ,

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Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

• Authors : Kjær, Kasper S.; Van Driel, Tim B.; Harlang, Tobias C.B.

• Source: Kjær , K S , Van Driel , T B , Harlang , T C B , Kunnus , K , Biasin , E , Ledbetter , K , Hartsock , R W , Reinhard , M E , Koroidov , S , Li , L , Laursen , M G , Hansen , F B , Vester , P ,

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