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DatasetOptimised geometrical coordinates for oxygen reduction/evolution photocatalytic reaction network over a single Co atom embedded in a graphitic carbon nitride network
Aug 10, 2026

Wlazło, Mateusz; Osella, Silvio; Goddard, William III, 2026, "Optimised geometrical coordinates for oxygen reduction/evolution photocatalytic reaction network over a single Co atom embedded in a graphitic carbon nitride network", https://doi.org/10.58132/2YBPLD, Dane Badawcze UW, V1

DatasetOptimised cartesian coordinates of the circumpyrene tetracarboxydiimide derivatives on different organic solvent
Aug 4, 2026

Osella, Silvio, 2026, "Optimised cartesian coordinates of the circumpyrene tetracarboxydiimide derivatives on different organic solvent", https://doi.org/10.58132/MCSMMQ, Dane Badawcze UW, V1

DatasetOptimised geometrical coordinates for the CO2 reduction reaction over a MXene surface with different degreees of Ni coverage
Aug 4, 2026

Osella, Silvio, 2026, "Optimised geometrical coordinates for the CO2 reduction reaction over a MXene surface with different degreees of Ni coverage", https://doi.org/10.58132/MC5O4L, Dane Badawcze UW, V1

DatasetFirst-principles calculation data for the MgCu₃H system
Jul 29, 2026

Szkudlarek, Piotr; Grochala, Wojciech, 2026, "First-principles calculation data for the MgCu₃H system", https://doi.org/10.58132/I8DR4E, Dane Badawcze UW, V1

Thumbnail of dataset Supporting Dataset: Crystallographic Information and Projected Density of States (PDOS) Data
DatasetSupporting Dataset: Crystallographic Information and Projected Density of States (PDOS) Data
Jul 24, 2026

Ciszewski, Dawid, 2026, "Supporting Dataset: Crystallographic Information and Projected Density of States (PDOS) Data", https://doi.org/10.58132/UFNLAZ, Dane Badawcze UW, V1

DatasetAtomic coordinates of the reaction intermediates for the CO2 reduction reaction towards ethanol and methanol on a 2D MOF
Jul 22, 2026

Osella, Silvio, 2026, "Atomic coordinates of the reaction intermediates for the CO2 reduction reaction towards ethanol and methanol on a 2D MOF", https://doi.org/10.58132/F6JBAS, Dane Badawcze UW, V1

DatasetPhysicochemical characterization data for salts of monovalent metal cations (Li-Cs, Ag) with partially fluorinated alkoxyaluminates: [Al{OCH(CF3)2}4]− and [Al{OC(CH3)(CF3)2}4]
Jul 15, 2026

Malinowski, Przemysław, 2026, "Physicochemical characterization data for salts of monovalent metal cations (Li-Cs, Ag) with partially fluorinated alkoxyaluminates: [Al{OCH(CF3)2}4]− and [Al{OC(CH3)(CF3)2}4]", https://doi.org/10.58132/N6RMVZ, Dane Badawcze UW, V1

DatasetResults of theoretical calculations for AgBeF4 phases
Jul 13, 2026

Kuder, Katarzyna, 2026, "Results of theoretical calculations for AgBeF4 phases", https://doi.org/10.58132/TH2IY7, Dane Badawcze UW, V1

DatasetComputational dataset for Trm5 methyltransferase dynamics and catalysis
Jun 24, 2026

Sanocki, Michał; Jedrzejewski, Mateusz; Stachowicz-Kuśnierz, Anna; Kuźmierkiewicz, Natalia; Sikorska, Julia; Ishikawa, Takao; Hou, Ya-Ming; Kałek, Marcin; Sułkowska, Joanna, 2026, "Computational dataset for Trm5 methyltransferase dynamics and catalysis", https://doi.org/10.58132/OWLKGY, Dane Badawcze UW, V1

DatasetAtomic coordinates for: Competition between charge and energy transfer in 0D/2D nanographene‑graphene heterojunctions
Apr 22, 2026

Osella, Silvio, 2026, "Atomic coordinates for: Competition between charge and energy transfer in 0D/2D nanographene‑graphene heterojunctions", https://doi.org/10.58132/PPRRGV, Dane Badawcze UW, V1

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