List of works - Alex Domingo

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

scientific article published on 19 November 2018

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

scientific article published on 25 October 2017

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

scientific article published on 16 November 2017

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

scientific article published on 05 March 2015

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

scientific article published on 4 April 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

scientific article published on 12 August 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

scientific article published on 22 February 2016

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

scientific article published on 22 December 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

scientific article published on 12 November 2018

The Absorption Spectrum of Cytosine Tautomers: Beyond the Static Approach

scientific article published on 21 December 2011

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

scientific article published on 01 December 2014

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

scientific article

List of works by Alex Domingo