María Del Rocio
Sanchez De Armas
Ikertzailea 2017-2018 tartean
María del Carmen
Jiménez Calzado
María del Carmen Jiménez Calzado-rekin lankidetzan egindako argitalpenak (13)
2023
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How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces?
Physical chemistry chemical physics : PCCP, Vol. 25, Núm. 32, pp. 21673-21683
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Theoretical approach to the one-step versus two-step spin transitions in Hofmann-like FeII SCO metal-organic frameworks
Materials Today Chemistry, Vol. 30
2022
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Spin-crossover Fe(ii) complexes on a surface: A mixture of low-spin and high-spin molecules at low temperature from quantum-chemistry calculations
Inorganic Chemistry Frontiers, Vol. 9, Núm. 4, pp. 753-760
2021
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A photo-induced spin crossover based molecular switch and spin filter operating at room temperature
Dalton Transactions, Vol. 50, Núm. 19, pp. 6578-6587
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Deposition of the Spin Crossover FeII–Pyrazolylborate Complex on Au(111) Surface at the Molecular Level
Chemistry - A European Journal, Vol. 27, Núm. 2, pp. 712-723
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Spin-crossover complexes in nanoscale devices: Main ingredients of the molecule-substrate interactions
Nanoscale, Vol. 13, Núm. 44, pp. 18702-18713
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Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules
Nature Communications, Vol. 12, Núm. 1
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Theoretical inspection of the spin-crossover [Fe(tzpy)2(NCS)2] complex on Au(100) surface
Journal of Chemical Physics, Vol. 154, Núm. 3
2019
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Copper-nitroxide based breathing crystals: A unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations
Inorganic Chemistry Frontiers, Vol. 6, Núm. 5, pp. 1228-1237
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Elucidating the Electronic Structure and Magnetic and Conducting Properties of μ-Oxo Mn-phthalocyanine [MnPc(CN)]2O Complex
Journal of Physical Chemistry C
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Theoretical study of the photoconduction and photomagnetism of the BPY[Ni(dmit)2]2 molecular crystal
Dalton Transactions, Vol. 48, Núm. 36, pp. 13789-13798
2018
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Evaluation of the Giant Ferromagnetic π-d Interaction in Iron-Phthalocyanine Molecule
Journal of Physical Chemistry A, Vol. 122, Núm. 6, pp. 1678-1690
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Light-Induced Spin Transitions in Copper-Nitroxide-Based Switchable Molecular Magnets: Insights from Periodic DFT+U Calculations
Chemistry - A European Journal, Vol. 24, Núm. 71, pp. 18988-18997