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Jaque, Pablo
225
results:
Format
Online (225)
Mediatypes
Articles (Online) (83)
OpenAccess-fulltext (142)
Languages
english (196)
spanish (14)
Sorted by: Relevance
Sorted by: Year
?
1
New insights into H2activation by intramolecular frustrated..:
Barrales-Martínez, César
;
Durán, Rocío
;
Jaque, Pablo
Chemical Science. 14 (2023) 42 - p. 11798-11808 , 2023
Link:
https://doi.org/10.1039/..
?
2
Connection between nuclear and electronic Fukui functions b..:
Oller, Javier
;
Jaque, Pablo
The Journal of Chemical Physics. 159 (2023) 12 - p. , 2023
Link:
https://doi.org/10.1063/..
?
3
Metal-free catalytic conversion of CO2into methanol: local ..:
Barrales-Martínez, César
;
Durán, Rocío
;
Jaque, Pablo
Inorganic Chemistry Frontiers. 10 (2023) 8 - p. 2344-2358 , 2023
Link:
https://doi.org/10.1039/..
?
4
Unconventional OFF–ON Response of a Mono(calix[4]arene)-Sub..:
Lorente, Alejandro
;
Ochoa, Andres
;
Rodriguez-Lavado, Julio
...
ACS Omega. 8 (2022) 1 - p. 819-828 , 2022
Link:
https://doi.org/10.1021/..
?
5
A deeper analysis of the role of synchronicity on the Bell–..:
Barrales-Martínez, César
;
Jaque, Pablo
Physical Chemistry Chemical Physics. 24 (2022) 24 - p. 14772-14779 , 2022
Link:
https://doi.org/10.1039/..
?
6
Phosphine Evaluation on a New Series of Heteroleptic Copper..:
Henriquez, Marco A.
;
Engl, Sebastian
;
Jaque, Pablo
...
European Journal of Inorganic Chemistry. 2021 (2021) 38 - p. 4020-4029 , 2021
Link:
https://doi.org/10.1002/..
?
7
1,3-Dipolar Cycloadditions by a Unified Perspective Based o..:
Barrales-Martínez, César
;
Martínez-Araya, Jorge I.
;
Jaque, Pablo
The Journal of Physical Chemistry A. 125 (2021) 3 - p. 801-815 , 2021
Link:
https://doi.org/10.1021/..
?
8
Automating the IRC‐Analysis withinEyringpy:
Quintal, Alan
;
Dzib, Eugenia
;
Ortíz‐Chi, Filiberto
...
International Journal of Quantum Chemistry. 121 (2021) 16 - p. , 2021
Link:
https://doi.org/10.1002/..
?
9
Chemical and biological analysis of 4-acyloxy-3-nitrocoumar..:
Salgado, Francisco
;
Moncada-Basualto, Mauricio
;
Pozo-Martinez, Josue
...
Arabian Journal of Chemistry. 14 (2021) 3 - p. 102975 , 2021
Link:
https://doi.org/10.1016/..
?
10
5-HT2 Receptor Subfamily and the Halogen Bond Promise:
Fierro, Angélica
;
Matthies, Douglas J.
;
Cassels, Bruce K.
..
Journal of Chemical Information and Modeling. 61 (2021) 10 - p. 5001-5012 , 2021
Link:
https://doi.org/10.1021/..
?
11
DFT benchmark study of the O–O bond dissociation energy in ..:
Carmona, Danilo J.
;
Jaque, Pablo
;
Vöhringer-Martinez, Esteban
Theoretical Chemistry Accounts. 139 (2020) 7 - p. , 2020
Link:
https://doi.org/10.1007/..
?
12
Unveiling interactions between DNA and cytotoxic 2-arylpipe..:
Espinosa-Bustos, Christian
;
Canales, Camila
;
Ramírez, Galo
..
Arabian Journal of Chemistry. 13 (2020) 1 - p. 2233-2244 , 2020
Link:
https://doi.org/10.1016/..
?
13
Elucidating sensing mechanisms of a pyrene excimer-based ca..:
Rodríguez-Lavado, Julio
;
Lorente, Alejandro
;
Flores, Erick
...
RSC Advances. 10 (2020) 37 - p. 21963-21973 , 2020
Link:
https://doi.org/10.1039/..
?
14
Real-Space Approach to the Reaction Force: Understanding th..:
Yepes, Diana
;
Munarriz, Julen
;
l'Anson, Daniel
..
The Journal of Physical Chemistry A. 124 (2020) 10 - p. 1959-1972 , 2020
Link:
https://doi.org/10.1021/..
?
15
Synthesis, in vitro evaluation and molecular docking of a n..:
Rodríguez-Lavado, Julio
;
Gallardo-Garrido, Carlos
;
Mallea, Michael
...
European Journal of Medicinal Chemistry. 198 (2020) - p. 112368 , 2020
Link:
https://doi.org/10.1016/..
1-15