Grupo de química teórica de materiales moleculares
MolMatTC
Universidad de Málaga
Málaga, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Málaga (26)
2024
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Aggregation of One-Dimensional Wires: The Case of Long Oligoynes
Angewandte Chemie - International Edition, Vol. 63, Núm. 38
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Neutral and Anion Species of Quinoidal Thienothiophene Diketopyrrolopyrroles Display a Common Aggregation Mode
Chemistry - A European Journal, Vol. 30, Núm. 56
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The key role of chirality and peripheral substitution in the columnar organization of bowl-shaped subphthalocyanines
Chemical Science, Vol. 15, Núm. 34, pp. 13760-13767
2023
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Dimeric tetrabromo-p-quinodimethanes: synthesis and structural/electronic properties
Chemical Science, Vol. 14, Núm. 37, pp. 10112-10120
2018
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Breathing-Dependent Redox Activity in a Tetrathiafulvalene-Based Metal-Organic Framework
Journal of the American Chemical Society, Vol. 140, Núm. 33, pp. 10562-10569
2015
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High yield ultrafast intramolecular singlet exciton fission in a quinoidal bithiophene
Journal of Physical Chemistry Letters, Vol. 6, Núm. 8, pp. 1375-1384
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On the handedness of helical aggregates of C3 tricarboxamides: A multichiroptical characterization
Chemical Communications, Vol. 51, Núm. 48, pp. 9781-9784
2013
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Impact of the synergistic collaboration of oligothiophene bridges and ruthenium complexes on the optical properties of dumbbell-shaped compounds
Chemistry - A European Journal, Vol. 19, Núm. 4, pp. 1476-1488
2012
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Carbonyl-functionalized quaterthiophenes: A study of the vibrational raman and electronic absorption/emission properties guided by theoretical calculations
ChemPhysChem, Vol. 13, Núm. 1, pp. 168-176
2011
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Diferrocenyl oligothiophene wires: Raman and quantum chemical study of valence-trapped cations
Journal of Chemical Physics, Vol. 135, Núm. 23
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Functionalized pentacenes: A combined theoretical, Raman and UV-Vis spectroscopic study
Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 521-530
2010
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Neutral and oxidized triisopropylsilyl end-capped oligothienoacenes: A combined electrochemical, spectroscopic, and theoretical study
Chemistry - A European Journal, Vol. 16, Núm. 18, pp. 5481-5491
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Quinoidal oligothiophenes: Towards biradical ground-state species
Chemistry - A European Journal, Vol. 16, Núm. 2, pp. 470-484
2009
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FT Raman and DFT study on a series of all-anti oligothienoacenes end-capped with triisopropylsilylgroups
ChemPhysChem, Vol. 10, Núm. 17, pp. 3069-3076
2007
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On the biradicaloid nature of long quinoidal oligothiophenes: Experimental evidence guided by theoretical studies
Angewandte Chemie - International Edition, Vol. 46, Núm. 47, pp. 9057-9061
2006
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Magnetic and conductive properties of quinoidal oligothiophenes
Chemistry of Materials, Vol. 18, Núm. 6, pp. 1539-1545
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Magnetic properties of quinoidal oligothiophenes: More than good candidates for ambipolar organic semiconductors?
Advanced Functional Materials, Vol. 16, Núm. 4, pp. 531-536
2005
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Mesitylthio-oligothiophenes in various redox states. Molecular and electronic views as offered by spectroscopy and theory
Journal of Physical Chemistry A, Vol. 109, Núm. 49, pp. 11275-11284
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Raman and theoretical study of the solvent effects on the sizable intramolecular charge transfer in the push-pull 5-(dimethylamino)-5′- nitro-2,2′-bithiophene
Journal of Physical Chemistry A, Vol. 109, Núm. 39, pp. 8724-8731
2004
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Spectroscopic and theoretical study of the molecular and electronic structures of a terthiophene-based quinodimethane
ChemPhysChem, Vol. 5, Núm. 4, pp. 529-539