Juan-Carlos Sancho-García (ORCID: 0000-0003-3867-1697)
Universidad de Alicante
H-index: 43
Europe-Spain
Top articles of Juan-Carlos Sancho-García (ORCID: 0000-0003-3867-1697)
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Axial–equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem | Physical Chemistry Chemical Physics | Hanwei Li Eric Brémond Juan Carlos Sancho-García Ángel José Pérez-Jiménez Giovanni Scalmani | 2024 |
On the shoulder of giants | Zeitschrift für Kristallographie-Crystalline Materials | Massimo Nespolo Mois I Aroyo | 2015/11/1 |
Application to nonlinear optical properties of the RSX‐QIDH double‐hybrid range‐separated functional | Journal of Computational Chemistry | Mauricio Rodríguez‐Mayorga Pau Besalú‐Sala Ángel J Pérez‐Jiménez Juan-Carlos Sancho‐García | 2024/1/11 |
Design Strategies for Diradical Boron/Nitrogen Doped Carbon‐Based Materials | Yoann Olivier Juan‐Carlos Sancho‐García | 2023/9/18 | |
Impact of Di-and Poly-Radical Characters on the Relative Energy of the Doubly Excited and La States of Linear Acenes and Cyclacenes | Chemistry | Yasi Dai Juan-Carlos Sancho-García Fabrizia Negri | 2023/3/11 |
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties | Journal of Chemical Theory and Computation | Pau Besalú-Sala Fabien Bruneval Ángel José Pérez-Jiménez Juan Carlos Sancho-García Mauricio Rodríguez-Mayorga | 2023/9/11 |
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions | The Journal of Chemical Physics | María Eugenia Sandoval-Salinas E Brémond AJ Pérez-Jiménez Carlo Adamo Juan-Carlos Sancho-Garcia | 2023/1/28 |
SOS1-RSX-QIDH: A spin-opposite-scaled range-separated-exchange quadratic-integrand double-hybrid density functional | The Journal of Chemical Physics | Éric Brémond Ángel José Pérez-Jiménez Juan Carlos Sancho-García Carlo Adamo | 2023/12/21 |
Computational Design of Multiple Resonance-Type BN Molecules for Inverted Singlet and Triplet Excited States | The Journal of Physical Chemistry A | Yong-Jin Pu Danillo Valverde Juan Carlos Sancho-García Yoann Olivier | 2023/9/5 |
Non-empirical quadratic-integrand double-hybrid (QIDH) functionals: Merging DFT and wavefunction methods through parameter-free expressions | Juan-Carlos Sancho-García Éric Brémond Ángel-José Pérez-Jiménez Carlo Adamo | 2023/11/10 | |
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 | David Hall Juan Carlos Sancho-García Anton Pershin David Beljonne Eli Zysman-Colman | 2023/5/17 |
Assessment of the nonempirical r2SCAN-QIDH double-hybrid density functional against large and diverse datasets | The Journal of Chemical Physics | E Brémond M Rodríguez-Mayorga AJ Pérez-Jiménez C Adamo JC Sancho-García | 2023/10/14 |
Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states | Physical Chemistry Chemical Physics | María Eugenia Sandoval-Salinas Raúl Bernabeu-Cabañero AJ Pérez-Jiménez Emilio San-Fabián Juan-Carlos Sancho-Garcia | 2023 |
Correlation vs. exchange competition drives the singlet–triplet excited-state inversion in non-alternant hydrocarbons | Physical Chemistry Chemical Physics | María Eugenia Sandoval-Salinas Gaetano Ricci AJ Pérez-Jiménez David Casanova Yoann Olivier | 2023/10/10 |
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 | Éric Brémond Vincent Tognetti Henry Chermette Juan Carlos Sancho-García Laurent Joubert | 2022/1/10 |
Double Hybrids and Noncovalent Interactions: How Far Can We Go? | The Journal of Physical Chemistry A | Eric Brémond Hanwei Li Juan Carlos Sancho-García Carlo Adamo | 2022/4/19 |
Fluorescence limitations overcome by engineering light–matter interactions | Juan-Carlos Sancho-García | 2022/9/15 | |
Stability of the Polyynic Form of C18, C22, C26, and C30 Nanorings: A Challenge Tackled by Range-Separated Double-Hybrid Density Functionals | Physical Chemistry Chemical Physics | Éric Brémond Ángel J José Pérez-Jiménez Carlo Adamo Juan-Carlos Sancho-Garcia | 2022/2/16 |
Establishing design strategies for emissive materials with an inverted singlet–triplet energy gap (INVEST): a computational perspective on how symmetry rules the interplay … | Journal of Materials Chemistry C | Gaetano Ricci Juan-Carlos Sancho-García Yoann Olivier | 2022/7/28 |
Frustrated magnetic interactions in a cyclacene crystal | Physical Review Materials | R Ortiz JC Sancho-García J Fernández-Rossier | 2022/1/19 |
Co-Authors
