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: 2017-2023
Publications (10 Years): 33

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

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

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)