TY  - JOUR
AU  - Gómez Toledo, Marianela
AU  - Arroyo De Dompablo, María Elena
PY  - 2024
DO  - 10.1039/D4CP00874J
SN  - 1463-9084
UR  - https://hdl.handle.net/20.500.14352/105813
T2  - Physical Chemistry Chemical Physics
AB  - Assessment of DFT methods is essential to sustain reliability in the computational investigation of complex transition metal oxides. This work evaluates the performance of the strongly constrained and appropriately normed (SCAN) functional and its...
LA  - eng
M2  - 17255
PB  - Royal Society of Chemistry
KW  - Perovskitas
KW  - DFT
KW  - SCANU
TI  - The SCAN+U method in the investigation of complex transition metal oxides: a case study on YSr2Cu2FeO7+δ (δ = 0, 1)
TY  - journal article
VL  - 26
ER  -