E-LIB Suche - Ergebnisse für: Besalú Sala, Pau

1

Are Accelerated and Enhanced Wave Function Methods Accurate..:

Naim, Carmelo ; Besalú-Sala, Pau ; Zaleśny, Robert...
Journal of Chemical Theory and Computation. 19 (2023) 6 - p. 1753-1764 , 2023

Link: https://doi.org/10.1021/..

2

RPA, an Accurate and Fast Method for the Computation of Sta..:

Besalú-Sala, Pau ; Bruneval, Fabien ; Pérez-Jiménez, Ángel José..
Journal of Chemical Theory and Computation. 19 (2023) 18 - p. 6062-6069 , 2023

Link: https://doi.org/10.1021/..

3

Effect of external electric fields in the charge transfer r..:

Besalú-Sala, Pau ; Voityuk, Alexander A. ; Luis, Josep M..
The Journal of Chemical Physics. 158 (2023) 24 - p. , 2023

Link: https://doi.org/10.1063/..

4

Are Accelerated and Enhanced Wave Function Methods Accurate..:

Naim, Carmelo ; Besalú Sala, Pau ; Zaleśny, Robert...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jctc.2c01212. , 2023

Link: http://hdl.handle.net/10..

5

Characterization of a Ferryl Flip in Electronically Tuned N..:

Dantignana, Valeria ; Pérez Segura, María del Carmen ; Besalú Sala, Pau...
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106699GB-I00/ES/LIGANDOS NO INOCENTES COMO PLATAFORMAS PARA LA FUNCIONALIZACION DE ENLACES C-H Y C=C CON GRUPOS OXO, NITRENO Y CARBENO/. , 2023

Link: http://hdl.handle.net/10..

6

Carboxylic Acid Directed γ-Lactonization of Unactivated Pri..:

Call, Arnau ; Cianfanelli, Marco ; Besalú-Sala, Pau...
Journal of the American Chemical Society. 144 (2022) 42 - p. 19542-19558 , 2022

Link: https://doi.org/10.1021/..

7

Carboxylic Acid Directed γ-Lactonization of Unactivated Pri..:

Call Quintana, Arnau ; Cianfanelli, Marco ; Besalú Sala, Pau...
info:eu-repo/semantics/altIdentifier/doi/10.1021/jacs.2c08620. , 2022

Link: http://hdl.handle.net/10..

8

Characterization of a Ferryl Flip in Electronically Tuned N..:

Dantignana, Valeria ; Pérez-Segura, M. Carmen ; Besalú Sala, Pau...
info:eu-repo/semantics/altIdentifier/doi/10.1002/anie.202211361. , 2022

Link: http://hdl.handle.net/10..

9

Fast and Simple Evaluation of the Catalysis and Selectivity..:

Besalú-Sala, Pau ; Solà, Miquel ; Luis, Josep M..
ACS Catalysis. 11 (2021) 23 - p. 14467-14479 , 2021

Link: https://doi.org/10.1021/..

10

Evaluation of charge-transfer rates in fullerene-based dono..:

Besalú-Sala, Pau ; Voityuk, Alexander A. ; Luis, Josep M..
Physical Chemistry Chemical Physics. 23 (2021) 9 - p. 5376-5384 , 2021

Link: https://doi.org/10.1039/..

11

Fast and Simple Evaluation of the Catalysis and Selectivity..:

Besalú Sala, Pau ; Solà i Puig, Miquel ; Luis Luis, Josep Maria.
info:eu-repo/semantics/altIdentifier/doi/10.1021/acscatal.1c04247. , 2021

Link: http://hdl.handle.net/10..

12

Evaluation of charge-transfer rates in fullerene-based dono..:

Besalú Sala, Pau ; Voityuk, Alexander A ; Luis Luis, Josep Maria.
info:eu-repo/semantics/altIdentifier/doi/10.1039/d0cp06510b. , 2021

Link: http://hdl.handle.net/10..

13

Mechanistic Insights into the ortho-Defluorination-Hydroxyl..:

Besalú-Sala, Pau ; Magallón, Carla ; Costas, Miquel..
Inorganic Chemistry. 59 (2020) 23 - p. 17018-17027 , 2020

Link: https://doi.org/10.1021/..

14

A new tuned range-separated density functional for the accu..:

Besalú-Sala, Pau ; Sitkiewicz, Sebastian P. ; Salvador, Pedro..
Physical Chemistry Chemical Physics. 22 (2020) 21 - p. 11871-11880 , 2020

Link: https://doi.org/10.1039/..

15

Mechanistic Insights into the ortho-Defluorination-Hydroxyl..:

Besalú Sala, Pau ; Magallón, Carla ; Costas Salgueiro, Miquel..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.inorgchem.0c02246. , 2020

Link: http://hdl.handle.net/10..