| Divergent Adsorption-Dependent Luminescence of Amino-Functionalized Lanthanide Metal–Organic Frameworks for Highly Sensitive NO2 Sensors A Gamonal, C Sun, AL Mariano, E Fernandez-Bartolome, ... The journal of physical chemistry letters 11 (9), 3362-3368, 2020 | 53 | 2020 |
| Biased Spin-State Energetics of Fe(II) Molecular Complexes within Density-Functional Theory and the Linear-Response Hubbard U Correction LA Mariano, B Vlaisavljevich, R Poloni Journal of Chemical Theory and Computation 16 (11), 6755-6762, 2020 | 34 | 2020 |
| Improved Spin-State Energy Differences of Fe(II) Molecular and Crystalline Complexes via the Hubbard U-Corrected Density LA Mariano, B Vlaisavljevich, R Poloni Journal of Chemical Theory and Computation 17 (5), 2807-2816, 2021 | 29 | 2021 |
| Hidden ordered structure in the archetypical Fe (pyrazine)[Pt (CN) 4] spin-crossover porous coordination compound Á Fernández-Blanco, LA Mariano, L Piñeiro-López, JA Real, JS Costa, ... CrystEngComm 24 (36), 6349-6356, 2022 | 10 | 2022 |
| Probing the electric field-induced doping mechanism in YBa2Cu3O7 using computed Cu K-edge x-ray absorption spectra R Poloni, AL Mariano, D Prendergast, J Garcia-Barriocanal The Journal of Chemical Physics 149 (23), 2018 | 8 | 2018 |
| Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes JPA de Mendonça, LA Mariano, E Devijver, N Jakse, R Poloni Journal of Chemical Theory and Computation 19 (21), 7555-7566, 2023 | 2 | 2023 |
| Electric field-induced oxygen vacancies in YBa2Cu3O7 AL Mariano, R Poloni The Journal of Chemical Physics 154 (22), 2021 | 2 | 2021 |
| Perspective from a Hubbard U-density corrected scheme towards a spin crossover-mediated change in gas affinity AL Mariano, A Fernández-Blanco, R Poloni The Journal of Chemical Physics 159 (15), 2023 | 1 | 2023 |
| Correction: Hidden ordered structure in the archetypical Fe (pyrazine)[Pt (CN) 4] spin-crossover porous coordination compound Á Fernández-Blanco, LA Mariano, L Piñeiro-López, JA Real, JS Costa, ... CrystEngComm 24 (44), 7869-7870, 2022 | 1 | 2022 |
| Ab initio simulations of spin-phonon relaxation time in molecular qubits AL Mariano Bulletin of the American Physical Society, 2024 | | 2024 |
| Spin-vibronic dynamics in open-shell systems beyond the spin Hamiltonian formalism LA Mariano, S Mondal, A Lunghi Journal of Chemical Theory and Computation 20 (1), 323-332, 2023 | | 2023 |
| Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework A Martinez-Martinez, E Resines-Urien, L Piñeiro-López, ... Chemistry of Materials 35 (15), 6012-6023, 2023 | | 2023 |
| An Artificial Neural Network-based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes JP Almeida de Mendonca, LA Mariano, E Devijver, N Jakse, R Poloni arXiv e-prints, arXiv: 2304.07899, 2023 | | 2023 |
| Spin Crossover-Mediated Change in Gas Affinity in Metal-Organic Frameworks: Perspective from A Hubbard U-Density Corrected Scheme AL Mariano, AF Blanco, R Poloni | | 2023 |
| Hidden ordered structure in the archetypical Fe (pyrazine)[Pt (CN)(4)] spin-crossover porous coordination compound (vol 24, 6356, 2022) A Fernandez-Blanco, LA Mariano, L Pineiro-Lopez, JA Real, JS Costa, ... CRYSTENGCOMM 24 (44), 7869-7870, 2022 | | 2022 |
| Unravelling interplay between molecule-based spin-state switching and electron transport in a single-crystal 3D metal-organic framework J Costa, A Martinez-Martinez, L Piñeiro-Lopez, E Resines-Urien, ... | | 2022 |
| Erratum: Hidden ordered structure in the archetypical Fe (pyrazine)[Pt (CN) 4] spin-crossover porous coordination compound I Fernández-Blanco, LA Mariano, L Piñeiro-López, JA Real, ... | | 2022 |
| Electric field-induced oxygen vacancies in YBa2Cu3O7 R Poloni, AL Mariano | | 2020 |
| Supporting Information: Hidden ordered structure in the archetypical Fe (pyrazine)[Pt (CN) 4] spin-crossover porous coordination compound Á Fernández-Blanco, LA Mariano, L Piñeiro-López, JA Real, JS Costa, ... | | |
Roberta PoloniCNRS, SIMaP LaboratoryVerified email at grenoble-inp.fr
