关注
A. Lorenzo Mariano
A. Lorenzo Mariano
Trinity College Dublin, School of Physics
在 tcd.ie 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
542020
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
362020
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
312021
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
102022
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
92018
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
32023
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
22023
Electric field-induced oxygen vacancies in YBa2Cu3O7
AL Mariano, R Poloni
The Journal of Chemical Physics 154 (22), 2021
22021
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
12023
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
12023
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
12022
The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules
LA Mariano, VHA Nguyen, JB Petersen, M Bjørnsson, J Bendix, GR Eaton, ...
arXiv preprint arXiv:2407.01380, 2024
2024
Ab initio simulations of spin-phonon relaxation time in molecular qubits
AL Mariano
Bulletin of the American Physical Society, 2024
2024
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, ...
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