Juan Carlos Sancho-García (Juan-Carlos Sancho-Garcia, Juan-Carlos Sancho-García, J-C Sancho-Garcia, Juan C Sancho García, J C Sancho-García, Juan C Sancho-García)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 39

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

Journal of computational chemistry

University of Alicante (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

University of Alicante

Spain

PHD :: Physical Chemistry

Publications

Mauricio Antonio Rodríguez Mayorga, Pau Besalú-Sala, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García
Application to nonlinear optical properties of the RSX-QIDH double-hybrid range-separated functional. Journal of computational chemistry 45 (13) (2024)
Hanwei Li, Lorenzo Briccolani-Bandini, Bernardino Tirri, Gianni Cardini, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set. The journal of physical chemistry. A 128 (31) (2024)
Mauricio Antonio Rodríguez Mayorga, Pau Besalú-Sala, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García
Application to nonlinear optical properties of the RSX-QIDH double-hybrid range-separated functional. Journal of computational chemistry (2024)
Hanwei Li, Éric Brémond, Juan Carlos Sancho-García, Ángel José Pérez-Jiménez, Giovanni Scalmani, Michael J Frisch, Carlo Adamo
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem. Physical chemistry chemical physics : PCCP 26 (10) (2024)
Hanwei Li, Éric Brémond, Juan Carlos Sancho-García, Ángel José Pérez-Jiménez, Giovanni Scalmani, Michael J Frisch, Carlo Adamo
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem. Physical chemistry chemical physics : PCCP (2024)
Hanwei Li, Lorenzo Briccolani-Bandini, Bernardino Tirri, Gianni Cardini, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set. The journal of physical chemistry. A (2024)
Yong-Jin Pu, Danillo Valverde, Juan Carlos Sancho-García, Yoann Olivier
Computational Design of Multiple Resonance-Type BN Molecules for Inverted Singlet and Triplet Excited States. The journal of physical chemistry. A (2023)
María Eugenia Sandoval-Salinas, R Bernabeu-Cabañero, Ángel José Pérez-Jiménez, Emilio San-Fabián, Juan Carlos Sancho-García
Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states. Physical chemistry chemical physics : PCCP (2023)
Pau Besalú-Sala, Fabien Bruneval, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, Mauricio Antonio Rodríguez Mayorga
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties. Journal of chemical theory and computation (2023)
María Eugenia Sandoval-Salinas, Éric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, Juan Carlos Sancho-García
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 158 (4) (2023)
David Hall, Juan Carlos Sancho-García, Anton Pershin, David Beljonne, Eli Zysman-Colman, Yoann Olivier
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 (2023)
María Eugenia Sandoval-Salinas, Gaetano Ricci, Ángel José Pérez-Jiménez, David Casanova, Yoann Olivier, Juan Carlos Sancho-García
Correlation vs. exchange competition drives the singlet-triplet excited-state inversion in non-alternant hydrocarbons. Physical chemistry chemical physics : PCCP (2023)
Irene Badía-Domínguez, Sofia Canola, Víctor Hernández Jolín, Juan T López Navarrete, Juan Carlos Sancho-García, Fabrizia Negri, M Carmen Ruiz Delgado
Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position. The journal of physical chemistry letters 13 (26) (2022)
David Hall, Juan Carlos Sancho-García, Anton Pershin, Gaetano Ricci, David Beljonne, Eli Zysman-Colman, Yoann Olivier
Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key! Journal of chemical theory and computation 18 (8) (2022)
Éric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, Juan Carlos Sancho-García
Stability of the polyynic form of C 18 , C 22 , C 26 , and C 30 nanorings: a challenge tackled by range-separated double-hybrid density functionals. Physical chemistry chemical physics : PCCP 24 (7) (2022)
Éric Brémond, Hanwei Li, Juan Carlos Sancho-García, Carlo Adamo
Double Hybrids and Noncovalent Interactions: How Far Can We Go? The journal of physical chemistry. A 126 (16) (2022)
A Omist, Gaetano Ricci, A Derradji, Ángel José Pérez-Jiménez, Emilio San-Fabián, Yoann Olivier, Juan Carlos Sancho-García
peri-Acenoacene molecules: tuning of the singlet and triplet excitation energies by modifying their radical character. Physical chemistry chemical physics : PCCP 23 (41) (2021)
J Sanz-Rodrigo, G Ricci, Y Olivier, Juan Carlos Sancho-García
Negative Singlet-Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting. The journal of physical chemistry. A 125 (2) (2021)
Irene Badía-Domínguez, Miriam Peña-Alvarez, Deliang Wang, Andrés Pérez Guardiola, Yolanda Vida, Sandra Rodríguez González, Juan T López Navarrete, Víctor Hernández Jolín, Juan Carlos Sancho-García, Valentín G Baonza, Rosie Nash, František Hartl, Hongxiang Li, M Carmen Ruiz Delgado
Dynamic Covalent Properties of a Novel Indolo[3,2-b]carbazole Diradical. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (17) (2021)
Shantanu Mishra, Xuelin Yao, Qiang Chen, Kristjan Eimre, Oliver Gröning, Ricardo Ortiz, Marco Di Giovannantonio, Juan Carlos Sancho-García, Joaquín Fernández-Rossier, Carlo A Pignedoli, Klaus Müllen, Pascal Ruffieux, Akimitsu Narita, Roman Fasel
Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery. Nature chemistry 13 (6) (2021)
Hanwei Li, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Pairing double hybrid functionals with a tailored basis set for an accurate thermochemistry of hydrocarbons. RSC advances 11 (42) (2021)
Éric Brémond, Alistar Ottochian, Ángel José Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J Frisch, Juan Carlos Sancho-García, Carlo Adamo
Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. Journal of computational chemistry 42 (14) (2021)
Éric Brémond, Vincent Tognetti, Henry Chermette, Juan Carlos Sancho-García, Laurent Joubert, Carlo Adamo
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 (1) (2021)
Hanwei Li, Bernardino Tirri, Éric Brémond, Juan Carlos Sancho-García, Carlo Adamo
Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo Approach. The Journal of organic chemistry 86 (8) (2021)
Giovanna Salvitti, Fabrizia Negri, Ángel José Pérez-Jiménez, Emilio San-Fabián, David Casanova, Juan Carlos Sancho-García
Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods. The journal of physical chemistry. A 124 (18) (2020)
Monica Moral, Amparo Navarro, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García
Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds. The journal of physical chemistry. A 124 (18) (2020)
Javier Sanz-Rodrigo, Yoann Olivier, Juan Carlos Sancho-García
Computational Studies of Molecular Materials for Unconventional Energy Conversion: The Challenge of Light Emission by Thermally Activated Delayed Fluorescence. Molecules (Basel, Switzerland) 25 (4) (2020)
Éric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, Juan Carlos Sancho-García
sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximations. The Journal of chemical physics 151 (21) (2019)
Ricardo Ortiz, Roberto A Boto, Noel García-Martínez, Juan Carlos Sancho-García, Manuel Melle-Franco, Joaquı N Fernández-Rossier
Exchange Rules for Diradical π-Conjugated Hydrocarbons. Nano letters 19 (9) (2019)
Éric Brémond, Ilaria Ciofini, Juan Carlos Sancho-García, Carlo Adamo
Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C60) Dimer and Isomers as Test Cases. The journal of physical chemistry. A 123 (46) (2019)
Jeff M Van Raden, Erik J Leonhardt, Lev N Zakharov, A Pérez-Guardiola, Ángel José Pérez-Jiménez, Checkers R Marshall, Carl K Brozek, Juan Carlos Sancho-García, Ramesh Jasti
Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops. The Journal of organic chemistry 85 (1) (2019)
Anton Pershin, David Hall, Vincent Lemaur, Juan Carlos Sancho-García, Luca Muccioli, Eli Zysman-Colman, David Beljonne, Yoann Olivier
Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules. Nature communications 10 (1) (2019)
Ángel José Pérez-Jiménez, Éric Brémond, Carlo Adamo, Juan Carlos Sancho-García
Communication: Accurate description of interaction energies and three-body effects in weakly bound molecular complexes by PBE-QIDH models. The Journal of chemical physics 149 (4) (2018)
Éric Brémond, Marika Savarese, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, Carlo Adamo
Range-Separated Double-Hybrid Functional from Nonempirical Constraints. Journal of chemical theory and computation 14 (8) (2018)
Michael Y Wong, Simonas Krotkus, Graeme Copley, Wenbo Li, Caroline Murawski, David Hall, Gordon J Hedley, Marie Jaricot, David B Cordes, Alexandra M Z Slawin, Yoann Olivier, David Beljonne, Luca Muccioli, Monica Moral, Juan Carlos Sancho-García, Malte C Gather, Ifor D W Samuel, Eli Zysman-Colman
Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes. ACS applied materials & interfaces 10 (39) (2018)
Y Olivier, Juan Carlos Sancho-García, Luca Muccioli, Gabriele D'Avino, David Beljonne
Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead. The journal of physical chemistry letters 9 (20) (2018)
Joaquin Calbo, Juan Carlos Sancho-García, Enrique Ortí, Juan Aragó
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes. Molecules (Basel, Switzerland) 23 (1) (2018)
Joaquín Calbo, Juan Carlos Sancho-García, Enrique Ortí, Juan Aragó
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes. Journal of computational chemistry 38 (21) (2017)
Éric Brémond, Marika Savarese, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, Carlo Adamo
Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases. Journal of chemical theory and computation 13 (11) (2017)

Juan Carlos Sancho-García.css-eqlu8i{font-size:small;padding-left:4px;} (Juan-Carlos Sancho-Garcia, Juan-Carlos Sancho-García, J-C Sancho-Garcia, Juan C Sancho García, J C Sancho-García, Juan C Sancho-García)

Publication Activity (10 Years)

Top Topics

Top Venues

Juan Carlos Sancho-García (Juan-Carlos Sancho-Garcia, Juan-Carlos Sancho-García, J-C Sancho-Garcia, Juan C Sancho García, J C Sancho-García, Juan C Sancho-García)