Lista de obras - Alex Domingo - Dominio Público Uruguay

Ab initioabsorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field

article

Charge transfer processes: the role of optimized molecular orbitals

article

Deactivation of Excited States in Transition-Metal Complexes: Insight from Computational Chemistry

artículo científico publicado en 2018

Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical Study

artículo científico publicado en 2017

Effect of Second-Order Spin-Orbit Coupling on the Interaction between Spin States in Spin-Crossover Systems

artículo científico publicado en 2017

Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex

artículo científico publicado en 2015

Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials

artículo científico publicado en 2013

Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations

article published in 2012

Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical–Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide

artículo científico publicado en 2013

Probing the Influence of the Ligands on the Magnetism of Dinuclear Manganese, Iron, and Chromium Complexes Supported by Aroylhydrazone

Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity

artículo científico publicado en 2016

Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory.

artículo científico publicado en 2016

Spin crossover in Fe(II) complexes: An ab initio study of ligand σ-donation

Switching the Spin-Crossover Phenomenon by Ligand Design on Imidazole–Diazineiron(II) Complexes

artículo científico publicado en 2018

The Absorption Spectrum of Cytosine Tautomers: Beyond the Static Approach

artículo científico publicado en 2011

The effect of thermal motion on the electron localization in metal-to-ligand charge transfer excitations in [Fe(bpy)3]2+

artículo científico publicado en 2014

Theoretical evidence for the direct 3MLCT-HS deactivation in the light-induced spin crossover of Fe(ii)-polypyridyl complexes

artículo científico publicado en 2018

Lista de obras de Alex Domingo

Ab initioabsorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field

Charge transfer processes: the role of optimized molecular orbitals

Deactivation of Excited States in Transition-Metal Complexes: Insight from Computational Chemistry

Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical Study

Effect of Second-Order Spin-Orbit Coupling on the Interaction between Spin States in Spin-Crossover Systems

Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex

Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials

Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations

Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical–Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide

Probing the Influence of the Ligands on the Magnetism of Dinuclear Manganese, Iron, and Chromium Complexes Supported by Aroylhydrazone

Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity

Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory.

Spin crossover in Fe(II) complexes: An ab initio study of ligand σ-donation

Switching the Spin-Crossover Phenomenon by Ligand Design on Imidazole–Diazineiron(II) Complexes

The Absorption Spectrum of Cytosine Tautomers: Beyond the Static Approach

The effect of thermal motion on the electron localization in metal-to-ligand charge transfer excitations in [Fe(bpy)3]2+

Theoretical evidence for the direct 3MLCT-HS deactivation in the light-induced spin crossover of Fe(ii)-polypyridyl complexes