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Reconstructing a polyoxometalate decorated with zinc(II) complexes through a directional interactions approach
-342558 -
Combining enzymatic and in silico studies to better understand polyoxometalates interactions with Ca2+-ATPase
-343028 -
Metal-Centered π-Holes in {TM(cyclen)}2+ Complexes: Quantitative Electrostatic Descriptors and Axial Binding Trends
-343097 -
In Silico Design of Peroxoniobium Complexes as Biomimetics of Haloperoxidases
-343123 -
Unravelling the Anti-Breast Cancer Activity of Polyoxovanadates
-342226
Publications in other proceedings
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SBQT 2023
Theoretical studies of decavanadate containing copper(II) complexes
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SBQT 2021
Revisiting the electronic structure of the first alkoxide containing titanium and iron
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SBQT 2021
DFT Study of the protonation of a vanadium-dependent haloperoxidase functional model
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SBQT 2021
Correlations between structure and bond dissociation energy of bipyramidal trigonal gallium(III) adducts
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SBQT 2021
DFT studies of an oxalate-bridged oxidovanadium(IV) binuclear complex with an anti-diabetic activity
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