Juan Carlos Sancho-García | Scholar Profiles and Rankings

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Enhancing Single‐Layer WSe2 Light Emission in Perylene‐Doped Polymer Films through Efficient Energy Transfer (journal article) Gadea, Marcos \| Asaithambi, Aswin \| Bernabeu‐Cabañero, Raúl \| Farrando‐Pérez, Alex \| Ramos, Maria \| Sancho‐García, Juan C. \| Kriegel, Ilka \| Díaz‐García, María A. \| Calvo, M. Reyes Advanced Functional Materials (2024). 10.1002/adfm.202401896 Cite \| Source
Application to nonlinear optical properties of the RSX‐QIDH double‐hybrid range‐separated functional (journal article) Rodríguez‐Mayorga, M. \| Besalú‐Sala, P. \| Pérez‐Jiménez, Á. J. \| Sancho‐García, J. C. Journal of Computational Chemistry, volume 45, issue 13, pages 995-1001 (2024). 10.1002/jcc.27302 Cite \| Source
On the shoulder of giants (journal article) Sancho-García, J. C. Theoretical Chemistry Accounts, volume 143, issue 5 (2024). 10.1007/s00214-024-03114-z Cite \| Source
Axial–equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem (journal article) Li, Hanwei \| Brémond, Eric \| Sancho-García, Juan Carlos \| Pérez-Jiménez, Ángel José \| Scalmani, Giovanni \| Frisch, Michael J. \| Adamo, Carlo Physical Chemistry Chemical Physics, volume 26, issue 10, pages 8094-8105 (2024). 10.1039/D3CP06141H Cited by (2) \| Cite \| Source
Computational Design of Multiple Resonance-Type BN Molecules for Inverted Singlet and Triplet Excited States (journal article) Pu, Yong-Jin \| Valverde, Danillo \| Sancho-García, Juan Carlos \| Olivier, Yoann The Journal of Physical Chemistry A, volume 127, issue 48, pages 10189-10196 (2023). 10.1021/acs.jpca.3c06573 Cited by (2) \| Cite \| Source
Assessment of the nonempirical r2SCAN-QIDH double-hybrid density functional against large and diverse datasets (journal article) Brémond, E. \| Rodríguez-Mayorga, M. \| Pérez-Jiménez, A. J. \| Adamo, C. \| Sancho-García, J. C. The Journal of Chemical Physics, volume 159, issue 14 (2023). 10.1063/5.0157259 Cited by (4) \| Cite \| Source
Correlation vs. exchange competition drives the singlet–triplet excited-state inversion in non-alternant hydrocarbons (journal article) Sandoval-Salinas, M. E. \| Ricci, G. \| Pérez-Jiménez, A. J. \| Casanova, D. \| Olivier, Y. \| Sancho-García, J. C. Physical Chemistry Chemical Physics, volume 25, issue 39, pages 26417-26428 (2023). 10.1039/D3CP02465B Cited by (10) \| Cite \| Source
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties (journal article) Besalú-Sala, Pau \| Bruneval, Fabien \| Pérez-Jiménez, Ángel José \| Sancho-García, Juan Carlos \| Rodríguez-Mayorga, Mauricio Journal of Chemical Theory and Computation, volume 19, issue 18, pages 6062-6069 (2023). 10.1021/acs.jctc.3c00674 Cited by (1) \| Cite \| Source
Design Strategies for Diradical Boron/Nitrogen Doped Carbon‐Based Materials (journal article) Olivier, Yoann \| Sancho‐García, Juan‐Carlos Angewandte Chemie International Edition, volume 62, issue 38 (2023). 10.1002/anie.202305501 Cite \| Source
Design Strategies for Diradical Boron/Nitrogen Doped Carbon‐Based Materials (journal article) Olivier, Yoann \| Sancho‐García, Juan‐Carlos Angewandte Chemie, volume 135, issue 38 (2023). 10.1002/ange.202305501 Cite \| Source
Benchmarking DFT Functionals for Excited-State Calculations of Donor–Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing (journal article) Hall, David \| Sancho-García, Juan Carlos \| Pershin, Anton \| Beljonne, David \| Zysman-Colman, Eli \| Olivier, Yoann The Journal of Physical Chemistry A, volume 127, issue 21, pages 4743-4757 (2023). 10.1021/acs.jpca.2c08201 Cited by (14) \| Cite \| Source
Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states (journal article) Sandoval-Salinas, M. E. \| Bernabeu-Cabañero, R. \| Pérez-Jiménez, A. J. \| San-Fabián, E. \| Sancho-García, J. C. Physical Chemistry Chemical Physics, volume 25, issue 16, pages 11697-11706 (2023). 10.1039/D3CP01103H Cited by (4) \| Cite \| Source
Impact of Di- and Poly-Radical Characters on the Relative Energy of the Doubly Excited and La States of Linear Acenes and Cyclacenes (journal article) Dai, Yasi \| Sancho-García, Juan-Carlos \| Negri, Fabrizia Chemistry, volume 5, issue 1, pages 616-632 (2023). 10.3390/chemistry5010044 Cited by (3) \| Cite \| Source
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions (journal article) Sandoval-Salinas, M. E. \| Brémond, E. \| Pérez-Jiménez, A. J. \| Adamo, C. \| Sancho-García, J. C. The Journal of Chemical Physics, volume 158, issue 4 (2023). 10.1063/5.0134946 Cited by (5) \| Cite \| Source
Non-empirical quadratic-integrand double-hybrid (QIDH) functionals (book chapter) In Annual Reports in Computational Chemistry Sancho-García, Juan-Carlos \| Brémond, Éric \| Pérez-Jiménez, Ángel-José \| Adamo, Carlo Elsevier (2023) 10.1016/bs.arcc.2023.10.002 Cited by (1) \| Cite \| Source
Fluorescence limitations overcome by engineering light–matter interactions (journal article) Sancho-García, Juan-Carlos Nature, volume 609, issue 7927, pages 473-475 (2022). 10.1038/d41586-022-02890-7 Cited by (5) \| Cite \| Source
Establishing design strategies for emissive materials with an inverted singlet–triplet energy gap (INVEST): a computational perspective on how symmetry rules the interplay between triplet harvesting and light emission (journal article) Ricci, Gaetano \| Sancho-García, Juan-Carlos \| Olivier, Yoann Journal of Materials Chemistry C, volume 10, issue 35, pages 12680-12698 (2022). 10.1039/D2TC02508F Cited by (28) \| Cite \| Source
Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key! (journal article) Hall, David \| Sancho-García, Juan Carlos \| Pershin, Anton \| Ricci, Gaetano \| Beljonne, David \| Zysman-Colman, Eli \| Olivier, Yoann Journal of Chemical Theory and Computation, volume 18, issue 8, pages 4903-4918 (2022). 10.1021/acs.jctc.2c00141 Cited by (46) \| Cite \| Source
Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position (journal article) Badía-Domínguez, Irene \| Canola, Sofia \| Hernández Jolín, Víctor \| López Navarrete, Juan T. \| Sancho-García, Juan C. \| Negri, Fabrizia \| Ruiz Delgado, M. Carmen The Journal of Physical Chemistry Letters, volume 13, issue 26, pages 6003-6010 (2022). 10.1021/acs.jpclett.2c01325 Cited by (8) \| Cite \| Source
Tackling an accurate description of molecular reactivity with double-hybrid density functionals (journal article) Brémond, Éric \| Li, Hanwei \| Pérez-Jiménez, Ángel José \| Sancho-García, Juan Carlos \| Adamo, Carlo The Journal of Chemical Physics, volume 156, issue 16 (2022). 10.1063/5.0087586 Cited by (8) \| Cite \| Source