Ir al contenido principal
Buscar
Menú de navegación
Idiomas
Valencià
Español
English
Inicio
Contacto
Ayuda
Registrarse para:
Mi RUA
Recibir actualizaciones por correo
Editar perfil
Buscar
Avanzada
Docencia
Institucional
Investigación
Revistas y Congresos
RUA
Buscar por Autor Sancho-Garcia, Juan-Carlos
Ir a:
0-9
A
B
C
D
E
F
G
H
I
J
K
L
M
N
O
P
Q
R
S
T
U
V
W
X
Y
Z
o introduzca las primeras letras:
Ordenar por:
Título
Fecha de publicación
Fecha de envio
En orden:
Ascendente
Descendente
Resultados/Página
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
Autores/Registro:
Todos
1
3
5
10
15
20
25
30
35
40
45
50
Mostrando resultados 100 a 119 de 121
< anterior
siguiente >
Items
Acceso
Vista previa
Fecha de publicación
Título
Autor/es
17-mar-2021
Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods
Ricci, Gaetano
;
San-Fabián, Emilio
;
Olivier, Yoann
, et al
15-dic-2023
SOS1-RSX-QIDH: A spin-opposite-scaled range-separated-exchange quadratic-integrand double-hybrid density functional
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
;
Sancho-Garcia, Juan-Carlos
, et al
4-dic-2019
sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximations
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
;
Adamo, Carlo
, et al
4-oct-2017
Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases
Brémond, Éric
;
Savarese, Marika
;
Pérez-Jiménez, Ángel J.
, et al
20-ene-2022
Stability of the Polyynic Form of C18, C22, C26, and C30 Nanorings: A Challenge Tackled by Range-Separated Double-Hybrid Density Functionals
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
;
Adamo, Carlo
, et al
9-mar-2016
Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment
Trouillas, Patrick
;
Sancho-Garcia, Juan-Carlos
;
De Freitas, Victor
, et al
23-abr-2019
Structure and Charge Transport Properties of Cycloparaphenylene Monolayers on Graphite
Pérez-Guardiola, Andrés
;
Pérez-Jiménez, Ángel J.
;
Muccioli, Luca
, et al
30-may-2017
Studying physisorption processes and molecular friction of cycloparaphenylene molecules on graphene nano-sized flakes: role of π⋯π and CH⋯π interactions
Pérez-Guardiola, Andrés
;
Pérez-Jiménez, Ángel J.
;
Sancho-Garcia, Juan-Carlos
2015
Systematic Improvement of Density Functionals through Parameter-Free Hybridization Schemes
Brémond, Éric
;
Savarese, Marika
;
Pérez-Jiménez, Ángel J.
, et al
5-abr-2022
Tackling an accurate description of molecular reactivity with double-hybrid density functionals
Brémond, Éric
;
Li, Hanwei
;
Pérez-Jiménez, Ángel J.
, et al
2004
La teoría del funcional densidad y las ecuaciones variacionales de Kohn-Sham: aportación de nuevos aspectos sobre sus posibilidades y limitaciones
Sancho-Garcia, Juan-Carlos
7-sep-2016
Theoretical Determination of Interaction and Cohesive Energies of Weakly Bound Cycloparaphenylene Molecules
Reche Tamayo, Manuel
;
Moral, Mónica
;
Pérez-Jiménez, Ángel J.
, et al
oct-2020
Theoretical Insights for Materials Properties of Cyclic Organic Nanorings
Pérez-Jiménez, Ángel J.
;
Sancho-Garcia, Juan-Carlos
2015
Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character
Moral, Mónica
;
Muccioli, Luca
;
Son, W.-J.
, et al
7-sep-2016
Theoretical Study of Cyclic Pyrene Oligomers and Their Resemblance with Cyclic Paraphenylenes: Disclosing Structure–Property Relationships for Cyclic Nanorings
Moral, Mónica
;
Pérez-Guardiola, Andrés
;
San-Fabián, Emilio
, et al
7-oct-2014
Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?
Sancho-Garcia, Juan-Carlos
;
Pérez-Jiménez, Ángel J.
23-jun-2022
Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position
Badía-Domínguez, Irene
;
Canola, Sofia
;
Hernández Jolín, Víctor
, et al
19-ene-2017
Understanding and Controlling Chemical Modifications of Rubicene for Their Envisioned Use as Molecular Organic Semiconductors
Moral, Mónica
;
Pérez-Jiménez, Ángel J.
;
Sancho-Garcia, Juan-Carlos
nov-2015
Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenols
Di Meo, Florent
;
Bayach, Imène
;
Trouillas, Patrick
, et al
2-dic-2021
Violation of Hund's Rule in Molecules: Predicting the Excited-State Energy Inversion by TD-DFT with Double-Hybrid Methods
Sancho-Garcia, Juan-Carlos
;
Brémond, Éric
;
Ricci, Gaetano
, et al