Lista de obras - Sergi Vela - Dominio Público Uruguay

A Spin-Crossover Molecular Material Describing Four Distinct Thermal Pathways

scientific article published on 22 August 2018

A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes

Absorption Spectroscopy and Photophysics of a ReI -dppz Probe for DNA-Mediated Charge Transport

artículo científico publicado en 2018

Bi-stable spin-crossover characteristics of a highly distorted [Fe(1-BPP-COOC2H5)2](ClO4)2·CH3CN complex

artículo científico publicado en 2019

Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)2] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes

scientific article published on 20 December 2019

Bistability in Organic Magnetic Materials: A Comparative Study of the Key Differences between Hysteretic and Non-hysteretic Spin Transitions in Dithiazolyl Radicals.

artículo científico publicado en 2017

Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil's Staircase

scientific article published on 24 July 2018

Deciphering crystal packing effects in the spin crossover of six [FeII(2-pic)3]Cl2 solvatomorphs

artículo científico publicado en 2019

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

artículo científico publicado en 2016

Dividing the spoils: role of pyrazine ligands and perchlorate counterions in the magnetic properties of bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2.

artículo científico publicado en 2013

Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach

artículo científico publicado en 2017

Elucidating the 2D magnetic topology of the 'metal-radical' TTTA⋅Cu(hfac)2 system

artículo científico publicado en 2014

Exploring chemical space in the search for improved azoheteroarene-based photoswitches

scientific article published on 12 September 2019

Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials

artículo científico publicado en 2014

Lattice-Solvent Effects in the Spin-Crossover of an Fe(II)-Based Material. The Key Role of Intermolecular Interactions between Solvent Molecules.

artículo científico publicado en 2017

Linear or cyclic clusters of Cu(II) with a hierarchical relationship

artículo científico publicado en 2014

On the importance of thermal effects and crystalline disorder in the magnetism of benzotriazinyl-derived organic radicals

artículo científico publicado en 2014

On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds

artículo científico publicado en 2015

Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound

artículo científico publicado en 2019

Spin State Chemistry: Modulation of Ligand pKa by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex

scholarly article by Sébastien Dhers et al published 6 June 2018 in Journal of the American Chemical Society

The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials

artículo científico publicado en 2014

The origin of the antiferromagnetic behaviour of the charge-transfer compound (HMTTF)[Ni(mnt)2]

artículo científico publicado en 2014

Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state

artículo científico publicado en 2020

Three Redox States of a Diradical Acceptor-Donor-Acceptor Triad: Gating the Magnetic Coupling and the Electron Delocalization

artículo científico publicado en 2016

Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.

artículo científico publicado en 2015

Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transition

artículo científico publicado en 2015

Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound

scientific article published on 31 July 2012

Twisting induces ferromagnetism in homometallic clusters

artículo científico publicado en 2017

Understanding the Influence of the Electronic Structure on the Crystal Structure of a TTF-PTM Radical Dyad

artículo científico publicado en 2016

Lista de obras de Sergi Vela

A Spin-Crossover Molecular Material Describing Four Distinct Thermal Pathways

A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes

Absorption Spectroscopy and Photophysics of a ReI -dppz Probe for DNA-Mediated Charge Transport

Bi-stable spin-crossover characteristics of a highly distorted [Fe(1-BPP-COOC2H5)2](ClO4)2·CH3CN complex

Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)2] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes

Bistability in Organic Magnetic Materials: A Comparative Study of the Key Differences between Hysteretic and Non-hysteretic Spin Transitions in Dithiazolyl Radicals.

Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil's Staircase

Deciphering crystal packing effects in the spin crossover of six [FeII(2-pic)3]Cl2 solvatomorphs

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

Dividing the spoils: role of pyrazine ligands and perchlorate counterions in the magnetic properties of bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2.

Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach

Elucidating the 2D magnetic topology of the 'metal-radical' TTTA⋅Cu(hfac)2 system

Exploring chemical space in the search for improved azoheteroarene-based photoswitches

Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials

Lattice-Solvent Effects in the Spin-Crossover of an Fe(II)-Based Material. The Key Role of Intermolecular Interactions between Solvent Molecules.

Linear or cyclic clusters of Cu(II) with a hierarchical relationship

On the importance of thermal effects and crystalline disorder in the magnetism of benzotriazinyl-derived organic radicals

On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds

Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound

Spin State Chemistry: Modulation of Ligand pKa by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex

The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials

The origin of the antiferromagnetic behaviour of the charge-transfer compound (HMTTF)[Ni(mnt)2]

Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state

Three Redox States of a Diradical Acceptor-Donor-Acceptor Triad: Gating the Magnetic Coupling and the Electron Delocalization

Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.

Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transition

Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound

Twisting induces ferromagnetism in homometallic clusters

Understanding the Influence of the Electronic Structure on the Crystal Structure of a TTF-PTM Radical Dyad