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New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules.
Zarroug, Rim; Artetxe, Benat; Ayed, Brahim; Lopez, Xavier; Ribeiro, Nadia; Correia, Isabel; Pessoa, Joao Costa,
Dalton transactions (Cambridge, England : 2003), 2022, , -.
On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments
Sanchez-Mansilla, A.; Sousa, C.; Kathir, R. K.; Broer, R.; Straatsma, T. P.; de Graaf, C.,
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24, 11931-11944.
Computational Modelling of the Interactions Between Polyoxometalates and Biological Systems
Gil, Adria; Carbo, Jorge J.,
FRONTIERS IN CHEMISTRY, 2022, 10, -.
Mechanistic Insights of Photocatalytic CO2 Reduction: Experimental versus Computational Studies
Masdeu-Bulto, Anna M.; Reguero, Mar; Claver, Carmen,
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2022, , -.
Immobilized Molecular Catalysts for CO2 Photoreduction
Reguero, Mar; Claver, Carmen; Carrilho, Rui Miguel Barroso; Masdeu-Bulto, Anna Maria,
ADVANCED SUSTAINABLE SYSTEMS, 2022, , -.