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Travaux et publications

Publications récentes
When does a functional correctly describe both the structure and the energy of the transition state?.
Su, N.Q.; Pernot, P.; Xu, X.; Savin, A.
J. Mol. Simul. 23:65 (2017)  
A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy.
Pernot, P.; Cailliez, F.
AIChE J. 63:4642–4665 (2017)  
The parameter uncertainty inflation fallacy.
Pernot, P.
J. Chem. Phys. 147:104102 (2017)  
Comment on “Calculating the Confidence and Prediction Limits of a Rate Constant at a Given Temperature from an Arrhenius Equation Using Excel”.
Pernot, P.
J. Chem. Edu. 94:1399−1401 (2017)  
Effect of the solvation state of electron in dissociative electron attachment reaction in aqueous solutions.
Wang, F.; Archirel, P.; Muroya, Y.; Yamashita, S.; Pernot, P.; Yin, C.; El Omar, A. K.; Schmidhammer, U.; Teuler, J.; Mostafavi, M.
Phys. Chem. Chem. Phys. 19:23068−23077 (2017)