JUAN CARLOS
SANCHO GARCIA
PROFESOR/A TITULAR UNIVERSIDAD
University of Bologna
Bolonia, ItaliaPublicacions en col·laboració amb investigadors/es de University of Bologna (11)
2023
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Impact of Di- and Poly-Radical Characters on the Relative Energy of the Doubly Excited and La States of Linear Acenes and Cyclacenes
Chemistry (Switzerland), Vol. 5, Núm. 1, pp. 616-632
2022
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Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position
The journal of physical chemistry letters, Vol. 13, Núm. 26, pp. 6003-6010
2020
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Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods
Journal of Physical Chemistry A, Vol. 124, Núm. 18, pp. 3590-3600
2019
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Charge transport parameters for carbon based nanohoops and donor-acceptor derivatives
Physical Chemistry Chemical Physics, Vol. 21, Núm. 4, pp. 2057-2068
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Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules
Nature Communications, Vol. 10, Núm. 1
2018
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Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead
Journal of Physical Chemistry Letters, Vol. 9, Núm. 20, pp. 6149-6163
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N-doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence
International Journal of Quantum Chemistry, Vol. 118, Núm. 12
2017
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Dynamic nature of excited states of donor-acceptor TADF materials for OLEDs: How theory can reveal structure-property relationships
Journal of Materials Chemistry C, Vol. 5, Núm. 23, pp. 5718-5729
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Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence
Physical Review Materials, Vol. 1, Núm. 7
2015
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Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials
Journal of Chemical Theory and Computation, Vol. 11, Núm. 7, pp. 3383-3392
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Theoretical rationalization of the singlet-triplet gap in oleds materials: Impact of charge-transfer character
Journal of Chemical Theory and Computation, Vol. 11, Núm. 1, pp. 168-177