J. C. Sancho-Garcı́a

Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead

Yoann Olivier, J. C. Sancho-Garcı́a, Luca Muccioli et al. · The Journal of Physical Chemistry Letters · 2018 · 168 citations · Full text

Optical Materials, Engineering, Whole Tadf Community +21

Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization

J. Cornil, I. Gueli, A. Dkhissi et al. · The Journal of Chemical Physics · 2003 · 162 citations · Full text

Optical Materials, Engineering, Molecule-based Material +19

Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character

Mónica Moral, Luca Muccioli, W.-J. Son et al. · Journal of Chemical Theory and Computation · 2014 · 145 citations · Full text

Engineering, Excitation Energy Transfer, Charge-transfer Character +23

Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds

J. C. Sancho-Garcı́a, Carlo Adamo · Physical Chemistry Chemical Physics · 2013 · 115 citations

Engineering, Physics, Double-hybrid Density Functionals +13

Assessment of the reliability of the Perdew–Burke–Ernzerhof functionals in the determination of torsional potentials in π-conjugated molecules

J. C. Sancho-Garcı́a, Jean‐Luc Brédas, Jérôme Cornil · Chemical Physics Letters · 2003 · 115 citations

Torsional Potentials, Engineering, Perdew–burke–ernzerhof Functionals +9