J. C. Sancho-Garcı́a

University of Alicante — Spain

Physics and Astronomy · Physical Sciences

43h-index6.8kcitations238works3.02yr avg
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Research Topics

Advanced Chemical Physics Studies(74), Synthesis and Properties of Aromatic Compounds(46), Organic Electronics and Photovoltaics(45), Molecular Junctions and Nanostructures(42), Organic Light-Emitting Diodes Research(39)

Publications238 total

Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange–correlation functionals
Physical Chemistry Chemical Physics·2025Open Access
Singlet–Triplet Gap in Covalently and Weakly Bound Carbenes: Studying the Dependence on the Exchange–Correlation Functional
ACS Omega·2025Open Access
Valuable scientific initiatives deserving support
Theoretical Chemistry Accounts·2025Open Access
Fast and Reliable Evaluation of Intermolecular Interactions with Second-Order Møller–Plesset Perturbation Theory and Small Basis Set
The Journal of Physical Chemistry A·2025Open Access
Scientific contributions making a difference
Theoretical Chemistry Accounts·2025Open Access
The Role of Theoretical Calculations for INVEST Systems: Complementarity Between Theory and Experiments and Rationalization of the Results
Advanced Optical Materials·2025· 12 citedOpen Access
Can ΔSCF and ROKS DFT-Based Methods Predict the Inversion of the Singlet–Triplet Gap in Organic Molecules?
Journal of Chemical Theory and Computation·2025· 8 cited
Functionalization of Clar’s Goblet Diradical with Heteroatoms: Tuning the Excited-State Energies to Promote Triplet-to-Singlet Conversion
The Journal of Physical Chemistry A·2025· 1 cited
Double-hybrid density functionals applied to a large set of INVEST systems: validating the (SOS1-)PBE-DH-INVEST expressions
Journal of Materials Chemistry C·2025· 4 citedOpen Access
Enhancing Reverse Intersystem Crossing with Extended Inverted Singlet–Triplet (X−INVEST) Systems
Advanced Optical Materials·2024· 12 cited
Can SCF and ROKS DFT-based methods predict the inversion of the singlet-triplet gap in organic molecules?
2024· 1 citedOpen Access
Can SCF and ROKS DFT methods predict inverted singlet-triplet gap?: Benchmarking and rationalization
2024Open Access
Something that matters
Theoretical Chemistry Accounts·2024Open Access
Searching the Best Double-Hybrid Density Functional to Correctly Predict the Singlet–Triplet Excited-State Inversion in Organic Systems
The Journal of Physical Chemistry C·2024· 18 cited
Enhancing Reverse Intersystem Crossing with Extended Inverted Singlet-Triplet (X−INVEST) systems
2024· 1 citedOpen Access
Study of Sterically Crowded Alkanes: Assessment of Non‐Empirical Density Functionals Including Double‐Hybrid (Cost‐Effective) Methods
ChemPhysChem·2024· 1 citedOpen Access
Enhancing Single‐Layer WSe<sub>2</sub> Light Emission in Perylene‐Doped Polymer Films through Efficient Energy Transfer (Adv. Funct. Mater. 36/2024)
Advanced Functional Materials·2024Open Access
Comment on “Dispersion-corrected r2SCAN based double-hybrid functionals” [J. Chem. Phys. 159, 224103 (2023)]
The Journal of Chemical Physics·2024Open Access
Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set
The Journal of Physical Chemistry A·2024· 3 cited
La irrupción de la Inteligencia Artificial (IA) en los dominios científico y social
Sociología y Tecnociencia·2024Open Access
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Frequent Co-authors

Á. J. Pérez‐Jiménez(17), Carlo Adamo(13), Yoann Olivier(12), Éric Brémond(11), David Beljonne(9), Jérôme Cornil(6), Luca Muccioli(5), Marika Savarese(5), Gaetano Ricci(5), David Hall(4), Eli Zysman‐Colman(4), Jean‐Luc Brédas(4), Enrique Ortı́(4), Juan Aragó(4), Patrick Trouillas(3), Johannes Gierschner(3), Anton Pershin(3), Mónica Moral(3), Olivier Dangles(2), Vincent Lemaur(2)