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Orientational preference of long, multicenter bonds in radical anion dimers: a case study of π-[TCNB]2 (2-) and π-[TCNP]2 (2.).The Tetracyanopyridinide Dimer Dianion, σ-[TCNPy]2 (2.).Keys for the existence of stable dimers of bis-tetrathiafulvalene (bis-TTF)-functionalized molecular clips presenting [TTF](•+)···[TTF](•+) long, multicenter bonds at room temperature.Multistep π dimerization of tetrakis(n-decyl)heptathienoacene radical cations: a combined experimental and theoretical study.Understanding room-temperature π-dimerisation of radical ions: intramolecular π-[TTF]22+ in functionalised calix[4]arenes.Entropic contributions enhance polarity compensation for CeO2(100) surfaces.Structure and properties of nitrogen-rich 1,4-dicyanotetrazine, C4N6: a comparative study with related tetracyano electron acceptors.Formation of Long, Multicenter π-[TCNE]22- Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations.Mechanism of Ethylene Oxychlorination on CeriaPerformance of DFT+U Approaches in the Study of Catalytic MaterialsElectronic Excitation Energies in Dimers between Radical Ions Presenting Long, Multicenter BondingAssessing the Performance of CASPT2 and DFT Methods for the Description of Long, Multicenter Bonding in Dimers between Radical IonsThe 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 CavityThe Nature of the [TTF].+⋅⋅⋅[TTF].+ Interactions in the [TTF]22+ Dimers Embedded in Charged [3]Catenanes: Room-Temperature Multicenter Long BondsSubstituent and counterion effects on the formation of π-dimer dications of end-capped heptathienoacenesUnusually Long, Multicenter, Cationδ+⋅⋅⋅Anionδ− Bonding Observed for Several Polymorphs of [TTF][TCNE]Quasi-degenerate states and their dynamics in oxygen deficient reducible metal oxidesDynamic charge and oxidation state of Pt/CeO2 single-atom catalysts
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description
hulumtues
@sq
researcher
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wetenschapper
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հետազոտող
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name
Marçal Capdevila-Cortada
@ast
Marçal Capdevila-Cortada
@en
Marçal Capdevila-Cortada
@es
Marçal Capdevila-Cortada
@nl
Marçal Capdevila-Cortada
@sl
type
label
Marçal Capdevila-Cortada
@ast
Marçal Capdevila-Cortada
@en
Marçal Capdevila-Cortada
@es
Marçal Capdevila-Cortada
@nl
Marçal Capdevila-Cortada
@sl
prefLabel
Marçal Capdevila-Cortada
@ast
Marçal Capdevila-Cortada
@en
Marçal Capdevila-Cortada
@es
Marçal Capdevila-Cortada
@nl
Marçal Capdevila-Cortada
@sl
P1053
B-1856-2015
P106
P1153
46461093000
P21
P31
P3829
P496
0000-0003-4391-6580
P569
2000-01-01T00:00:00Z