Juan-Carlos Sancho-Garcia, Ph.D.
Affiliations: | University of Alicante, Spain |
Area:
Quantum ChemistryGoogle:
"Juan-Carlos Sancho-Garcia"Mean distance: (not calculated yet)
Parents
Sign in to add mentorPetr Cársky | grad student | 1999-1999 | |
Federico Moscardó-Llorens | grad student | 1997-2001 | |
David Beljonne | post-doc | 2002-2004 | |
Jérôme Cornil | post-doc | 2002-2004 |
Children
Sign in to add traineeRicardo Ortiz-Cano | grad student | 2018-2021 | University of Alicante, Spain |
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Publications
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Pu YJ, Valverde D, Sancho-García JC, et al. (2023) Computational Design of Multiple Resonance-Type BN Molecules for Inverted Singlet and Triplet Excited States. The Journal of Physical Chemistry. A |
Besalú-Sala P, Bruneval F, Pérez-Jiménez ÁJ, et al. (2023) RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties. Journal of Chemical Theory and Computation. 19: 6062-6069 |
Olivier Y, Sancho-García JC. (2023) Design Strategies for Diradical Boron/Nitrogen Doped Carbon-Based Materials. Angewandte Chemie (International Ed. in English). e202305501 |
Hall D, Sancho-García JC, Pershin A, et al. (2023) Benchmarking DFT Functionals for Excited-State Calculations of Donor-Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing. The Journal of Physical Chemistry. A |
Hall D, Sancho-García JC, Pershin A, et al. (2022) Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key! Journal of Chemical Theory and Computation |
Brémond É, Tognetti V, Chermette H, et al. (2021) Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew's Ladder of Density-Functional Approximations. Journal of Chemical Theory and Computation. 18: 293-308 |
Brémond É, Ottochian A, Pérez-Jiménez ÁJ, et al. (2021) Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. Journal of Computational Chemistry |
Brémond É, Pérez-Jiménez ÁJ, Sancho-García JC, et al. (2020) Range-separated hybrid and double-hybrid density functionals: A quest for the determination of the range-separation parameter. The Journal of Chemical Physics. 152: 244124 |
Salvitti G, Negri F, Pérez-Jiménez ÁJ, et al. (2020) Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods. The Journal of Physical Chemistry. A. 124: 3590-3600 |
Sanz-Rodrigo J, Olivier Y, Sancho-García JC. (2020) Computational Studies of Molecular Materials for Unconventional Energy Conversion: The Challenge of Light Emission by Thermally Activated Delayed Fluorescence. Molecules (Basel, Switzerland). 25 |