Saulo A Vázquez

9PUBLICATIONS
10CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsStatistical mechanics in chemistryBiomolecular modelling and designComputational chemistry
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Publications (9)

|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

|Aug 23, 2021
New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling.

Sergio Pérez-Tabero, Berta Fernández, Enrique M Cabaleiro-Lago

|Feb 08, 2021
Vibrational Energy Relaxation of Deuterium Fluoride in d-Dichloromethane: Insights from Different Potentials.

Xiaoyong Zhang, Saulo A Vázquez, Jeremy N Harvey

|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

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Frequent Collaborators

5 joint publications

Enrique M Cabaleiro-Lago

4 joint publications

Emilio Martínez-Núñez

4 joint publications

Jesús Rodríguez-Otero

3 joint publications

Berta Fernández