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Browsing by Author Sancho-Garcia, Juan-Carlos
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Showing results 58 to 77 of 120
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10-May-2021
Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery
Mishra, Shantanu
;
Yao, Xuelin
;
Chen, Qiang
, et al
2020
Método POGIL como estrategia de aprendizaje grupal en asignaturas de ciencias
Salinas-Torres, David
;
Montilla, Francisco
;
Navlani-García, Miriam
, et al
5-Jul-2022
Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key!
Hall, David
;
Sancho-Garcia, Juan-Carlos
;
Pershin, Anton
, et al
12-Apr-2020
Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds
Moral, Mónica
;
Navarro, Amparo
;
Pérez-Jiménez, Ángel J.
, et al
27-Dec-2017
Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence
Olivier, Yoann
;
Yurash, Brett
;
Muccioli, Luca
, et al
16-Jul-2021
Near-Infrared Lasing in Four-Zigzag Edged Nanographenes by 1D versus 2D Electronic π-Conjugation
Muñoz-Mármol, Rafael
;
Gordillo Gámez, Fernando
;
Bonal, Víctor
, et al
5-Jan-2021
Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting
Sanz-Rodrigo, Javier
;
Ricci, Gaetano
;
Olivier, Yoann
, et al
28-Oct-2022
Non-empirical double-hybrid density functionals as reliable tools for electronic structure calculations
Sancho-Garcia, Juan-Carlos
;
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
, et al
Jan-2015
Non-parametrized functionals with empirical dispersion corrections: A happy match?
Bousquet, Diane
;
Brémond, Éric
;
Sancho-Garcia, Juan-Carlos
, et al
5-Jun-2020
Nonempirical (double‐hybrid) density functionals applied to atomic excitation energies: A systematic basis set investigation
Hernández-Martínez, Laura
;
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
, et al
5-Aug-2016
Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists
Brémond, Éric
;
Ciofini, Ilaria
;
Sancho-Garcia, Juan-Carlos
, et al
10-Jul-2013
Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions
Aragó March, Juan
;
Ortí Guillén, Enrique
;
Sancho-Garcia, Juan-Carlos
15-Jun-2018
N‐doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence
Graham, Christina
;
Moral, Mónica
;
Muccioli, Luca
, et al
23-May-2013
Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods
Sancho-Garcia, Juan-Carlos
;
Aragó March, Juan
;
Ortí Guillén, Enrique
, et al
Jan-2015
Oligostilbenoids from the Heartwood of N. Heimii: Role of Non-Covalent Association in their Biogenesis
Bayach, Imene
;
Manshoor, Nurhuda
;
Sancho-Garcia, Juan-Carlos
, et al
24-Apr-2024
On the shoulder of giants
Sancho-Garcia, Juan-Carlos
20-May-2015
Optical properties of wine pigments: theoretical guidelines with new methodological perspectives
Trouillas, Patrick
;
Di Meo, Florent
;
Gierschner, Johannes
, et al
7-Oct-2016
Optoelectronic and Semiconducting Properties of Conjugated Polymers Composed of Thiazolo[5,4-d]thiazole and Arene Imides Linked by Ethynylene Bridges
Moral, Mónica
;
Garzón, Andrés
;
Canales-Vázquez, Jesús
, et al
18-Jan-2022
Organic Emitters Showing Excited-States Energy Inversion: An Assessment of MC-PDFT and Correlation Energy Functionals Beyond TD-DFT
Sancho-Garcia, Juan-Carlos
;
San-Fabián, Emilio
29-Jul-2021
Pairing double hybrid functionals with a tailored basis set for an accurate thermochemistry of hydrocarbons
Li, Hanwei
;
Brémond, Éric
;
Sancho-Garcia, Juan-Carlos
, et al