Institut de Chimie Physique

Nos tutelles

	Pascal PERNOT Chercheur Groupe TheoSim
Contact	Tél. : +33 (0)1 69 15 54 28 Fax : +33 (0)1 69 15 61 88 Courriel : pascal.pernot@universite-paris-saclay.fr
Localisation	Bât 349
Informations complémentaires	Page Personnelle Travaux et publications

Publications récentes
Modulation of the Directionality of Hole Transfer between the Base and the Sugar-Phosphate Backbone in DNA with the Number of Sulfur Atoms in the Phosphate Group. Denisov, Sergey A.; Ward, Samuel; Shcherbakov, Viacheslav; Stark, Alexander D.; Kaczmarek, Renata; Radzikowska-Cieciura, Ewa; Debnath, Dipra; Jacobs, Taisiya; Kumar, Anil; Sevilla, Michael D.; Pernot, Pascal; Dembinski, Roman; Mostafavi, Mehran; Adhikary, Amitava J. Phys. Chem. B 126:430−442 (2022)
Should We Gain Confidence from the Similarity of Results between Methods ?. Pernot, P.; Savin, A. Computation 10:27 (2022)
The long road to calibrated prediction uncertainty in computational chemistry. Pernot, P. J. Chem. Phys. 156:114109 (2022)
Prediction uncertainty validation for computational chemists. Pernot, P. J. Chem. Phys. 157:144103 (2022)
A missing link in the nitrogen-rich organic chain on Titan. Carrasco, N.; Bourgalais, J.; Vettier, L.; Pernot, P.; Giner, E.; Spezia, R. A&A 663:A165 (2022)