Search research articles
Contact Us
Filters
Showing results (1-10 of 12) with videos related to
Page
of 2
Sort By:
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 19, 2021
Bingel-Hirsch Addition of Diethyl Bromomalonate to Ion-Encapsulated Fullerenes M@C<sub>60</sub> (M=Ø, Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Cl<sup>-</sup>)
Pau Besalú-Sala, Josep M Luis, Miquel Solà
The Journal of Chemical Physics
|
June 26, 2023
Effect of external electric fields in the charge transfer rates of donor-acceptor dyads: A straightforward computational evaluation
Pau Besalú-Sala, Alexander A Voityuk, Josep M Luis, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2021
Evaluation of charge-transfer rates in fullerene-based donor-acceptor dyads with different density functional approximations
Pau Besalú-Sala, Alexander A Voityuk, Josep M Luis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 9, 2025
Substituent Effects on Sulfur Phenolate Exchange Reactions: Reactivity and Bonding Analysis
Akash Krishna, Pau Besalú-Sala, F Matthias Bickelhaupt, et al.
Inorganic Chemistry
|
November 6, 2020
Mechanistic Insights into the <i>ortho</i>-Defluorination-Hydroxylation of 2-Halophenolates Promoted by a Bis(μ-oxo)dicopper(III) Complex
Pau Besalú-Sala, Carla Magallón, Miquel Costas, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 3, 2018
Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties
Mohit Chawla, Albert Poater, Pau Besalú-Sala, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2020
A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities
Pau Besalú-Sala, Sebastian P Sitkiewicz, Pedro Salvador, et al.
Journal of Chemical Theory and Computation
|
March 2, 2023
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
Carmelo Naim, Pau Besalú-Sala, Robert Zaleśny, et al.
Organic & Biomolecular Chemistry
|
July 22, 2017
The preference for dual-gold(i) catalysis in the hydro(alkoxylation vs. phenoxylation) of alkynes
Èric Casals-Cruañas, Oscar F González-Belman, Pau Besalú-Sala, et al.
Journal of Chemical Theory and Computation
|
September 11, 2023
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties
Pau Besalú-Sala, Fabien Bruneval, Ángel José Pérez-Jiménez, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 19, 2021
Bingel-Hirsch Addition of Diethyl Bromomalonate to Ion-Encapsulated Fullerenes M@C<sub>60</sub> (M=Ø, Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Cl<sup>-</sup>)
Pau Besalú-Sala, Josep M Luis, Miquel Solà
The Journal of Chemical Physics
|
June 26, 2023
Effect of external electric fields in the charge transfer rates of donor-acceptor dyads: A straightforward computational evaluation
Pau Besalú-Sala, Alexander A Voityuk, Josep M Luis, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2021
Evaluation of charge-transfer rates in fullerene-based donor-acceptor dyads with different density functional approximations
Pau Besalú-Sala, Alexander A Voityuk, Josep M Luis, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 9, 2025
Substituent Effects on Sulfur Phenolate Exchange Reactions: Reactivity and Bonding Analysis
Akash Krishna, Pau Besalú-Sala, F Matthias Bickelhaupt, et al.
Inorganic Chemistry
|
November 6, 2020
Mechanistic Insights into the <i>ortho</i>-Defluorination-Hydroxylation of 2-Halophenolates Promoted by a Bis(μ-oxo)dicopper(III) Complex
Pau Besalú-Sala, Carla Magallón, Miquel Costas, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 3, 2018
Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties
Mohit Chawla, Albert Poater, Pau Besalú-Sala, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2020
A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities
Pau Besalú-Sala, Sebastian P Sitkiewicz, Pedro Salvador, et al.
Journal of Chemical Theory and Computation
|
March 2, 2023
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
Carmelo Naim, Pau Besalú-Sala, Robert Zaleśny, et al.
Organic & Biomolecular Chemistry
|
July 22, 2017
The preference for dual-gold(i) catalysis in the hydro(alkoxylation vs. phenoxylation) of alkynes
Èric Casals-Cruañas, Oscar F González-Belman, Pau Besalú-Sala, et al.
Journal of Chemical Theory and Computation
|
September 11, 2023
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties
Pau Besalú-Sala, Fabien Bruneval, Ángel José Pérez-Jiménez, et al.
Page
of 2