Publicaciones en colaboración con investigadores/as de University of Strasbourg (14)

2022

  1. Bidentate Pyridyl-NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism

    European Journal of Inorganic Chemistry, Vol. 2022, Núm. 7

2020

  1. Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands

    Journal of Physical Chemistry C, Vol. 124, Núm. 34, pp. 18379-18389

  2. Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

    Molecules (Basel, Switzerland), Vol. 25, Núm. 24

2019

  1. Impact of the fac/ mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes

    Inorganic Chemistry, Vol. 58, Núm. 8, pp. 5069-5081

  2. Iron(ii) complexes with diazinyl-NHC ligands: Impact of π-deficiency of the azine core on photophysical properties

    Dalton Transactions, Vol. 48, Núm. 29, pp. 10915-10926

  3. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

2018

  1. A Spin-Crossover Molecular Material Describing Four Distinct Thermal Pathways

    Inorganic Chemistry, Vol. 57, Núm. 17, pp. 11019-11026

  2. NHC-Based Iron Sensitizers for DSSCs

    Inorganics, Vol. 6, Núm. 2

  3. Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac/ mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces

    Inorganic Chemistry, Vol. 57, Núm. 16, pp. 10431-10441

2017

  1. A probe of steric ligand substituent effects on the spin crossover of Fe(II) complexes

    Inorganic Chemistry Frontiers, Vol. 4, Núm. 8, pp. 1374-1383

2016

  1. Designed intramolecular blocking of the spin crossover of an Fe(II) complex

    Dalton Transactions, Vol. 45, Núm. 36, pp. 14058-14062

  2. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

    Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541

2015

  1. Unveiling the nature of supramolecular crown ether-C60 interactions

    Chemical Science, Vol. 6, Núm. 8, pp. 4426-4432

2014

  1. Energy transfer at the zeolite l boundaries: Towards photo- and electroresponsive materials

    ChemPlusChem, Vol. 79, Núm. 1, pp. 45-57