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List of works by Marçal Capdevila-Cortada

Assessing the Performance of CASPT2 and DFT Methods for the Description of Long, Multicenter Bonding in Dimers between Radical Ions

scientific article published on 01 February 2014

Dynamic charge and oxidation state of Pt/CeO2 single-atom catalysts

scientific article published on 05 August 2019

Electronic Excitation Energies in Dimers between Radical Ions Presenting Long, Multicenter Bonding

scientific article published on 01 June 2015

Entropic contributions enhance polarity compensation for CeO2(100) surfaces

scientific article

Formation of Long, Multicenter π-[TCNE]22- Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations.

scientific article published on 11 October 2016

Keys for the existence of stable dimers of bis-tetrathiafulvalene (bis-TTF)-functionalized molecular clips presenting [TTF](•+)···[TTF](•+) long, multicenter bonds at room temperature.

scientific article

Mechanism of Ethylene Oxychlorination on Ceria

Multistep π dimerization of tetrakis(n-decyl)heptathienoacene radical cations: a combined experimental and theoretical study.

scientific article published on 17 July 2014

Orientational preference of long, multicenter bonds in radical anion dimers: a case study of π-[TCNB]2 (2-) and π-[TCNP]2 (2.).

scientific article

Performance of DFT+U Approaches in the Study of Catalytic Materials

Quasi-degenerate states and their dynamics in oxygen deficient reducible metal oxides

scientific article published on 01 February 2020

Structure and properties of nitrogen-rich 1,4-dicyanotetrazine, C4N6: a comparative study with related tetracyano electron acceptors

scientific article published on 26 August 2014

Substituent and counterion effects on the formation of π-dimer dications of end-capped heptathienoacenes

scientific article published on 31 October 2011

The Nature of the [TTF].+⋅⋅⋅[TTF].+ Interactions in the [TTF]22+ Dimers Embedded in Charged [3]Catenanes: Room-Temperature Multicenter Long Bonds

article

The Origin of the Room-Temperature Stability of [TTF].+⋅⋅⋅[TTF].+Long, Multicenter Bonds Found in Functionalized π-[R-TTF]22+Dimers Included in the Cucurbit[8]uril Cavity

scientific article published on 26 May 2014

The Tetracyanopyridinide Dimer Dianion, σ-[TCNPy]2 (2.).

scientific article

Understanding room-temperature π-dimerisation of radical ions: intramolecular π-[TTF]22+ in functionalised calix[4]arenes

scientific article published on 19 January 2017

Unusually Long, Multicenter, Cationδ+⋅⋅⋅Anionδ− Bonding Observed for Several Polymorphs of [TTF][TCNE]

scientific article published on 26 July 2011

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