Jesús Rodríguez-Otero

8PUBLICATIONS
6CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsStatistical mechanics in chemistryRadiation and matterBiomolecular modelling and design
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Publications (8)

|Apr 01, 2023
Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes.

Enrique M Cabaleiro-Lago, Berta Fernández, Roberto Rodríguez-Fernández

|Apr 05, 2022
Electrostatic penetration effects stand at the heart of aromatic π interactions.

Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Saulo A Vázquez

|Mar 10, 2022
The PM6-FGC Method: Improved Corrections for Amines and Amides.

Martiño Ríos-García, Berta Fernández, Jesús Rodríguez-Otero

|Sep 25, 2020
Curvature and size effects hinder halogen bonds with extended π systems.

Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero

|May 23, 2020
The relative position of π-π interacting rings notably changes the nature of the substituent effect.

Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Saulo A Vázquez

|Jul 19, 2019
Endohedral alkali cations promote charge transfer transitions in complexes of C<sub>60</sub> with [10]cycloparaphenylenes.

Iván González-Veloso, Jesús Rodríguez-Otero, Enrique M Cabaleiro-Lago

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