P4: Page Personnelle de Pascal PERNOT

Il a peut-être créé le monde en 6 jours,
mais Il n'a pas rédigé la doc...




 

Fonctions

Thématiques de recherche





Mél :
T : +33 (0)1 69 15 54 28
F : +33 (0)1 69 15 61 88
 
 

Laboratoire de Chimie Physique
Bât. 349 (3eme étage; bureau 06)
Université Paris-Sud
91405 ORSAY Cedex
FRANCE
 


Actualités

Formation au calcul d'incertitudes 2018
Une formation doctorale PHENIICS / Paris-Saclay aura lieu sur 2 jours et demi
(les 10/04, 11/04 et 02/05 2018).
Descriptif de la formation et inscription ici.
Sous presse ou dans les kiosques
P. Pernot, "The parameter uncertainty inflation fallacy", J. Chem. Phys., vol. 147, no. 10, sep 2017, pp. 104102. [doi]
F. Wang, P. Archirel, Y. Muroya, S. Yamashita, P. Pernot, C. Yin, A. K. E. Omar, U. Schmidhammer, J. Teuler, M. Mostafavi, "Effect of the solvation state of electron in dissociative electron attachment reaction in aqueous solutions", Phys. Chem. Chem. Phys., vol. 19, 2017, pp. 23068–23077. [doi]
F. Wang, P. Pernot, P. Archirel, U. Schmidhammer, D. Ortiz, S. Le Caër, M. Mostafavi, "Observation and Simulation of Transient Anion Oligomers (LiClO4)-(n = 1-4) in Diethyl Carbonate LiClO4 Solutions", J. Phys. Chem. B, vol. 121, 2017, pp. 7464–7472. [doi]
N. Q. Su, P. Pernot, X. Xu, A. Savin, "When does a functional correctly describe both the structure and the energy of the transition state?", J. Mol. Model., vol. 23, 2017, pp. 65. [doi]
P. Pernot, F. Cailliez, "A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy", AIChE Journal, vol. 63, 2017, pp. 4642–4665. [doi]
J. Ma, P. Archirel, P. Pernot, U. Schmidhammer, S. L. Caër, M. Mostafavi, "Identification of Transient Radical Anions (LiClO4)n (n= 1-3) in THF Solutions: Experimental and Theoretical Investigation on Electron Localization in Oligomers", J. Phys. Chem. B, vol. 120, 2016, pp. 773–784. [doi]
B. C. d. Miranda, G. A. Garcia, F. Gaie-Levrel, A. Mahjoub, T. Gautier, B. Fleury, L. Nahon, P. Pernot, N. Carrasco, "Molecular Isomer Identification of Titan's Tholins Organic Aerosols by Photoelectron/Photoion Coincidence Spectroscopy Coupled to VUV Synchrotron Radiation", J. Phys. Chem. A, vol. 120, 2016, pp. 6529–6540. [doi]
B. Civalleri, R. Dovesi, P. Pernot, D. Presti, A. Savin, "On the Use of Benchmarks for Multiple Properties", Computation, vol. 4, 2016, pp. 20. [doi]
P. Pernot, B. Civalleri, D. Presti, A. Savin, "Prediction Uncertainty of Density Functional Approximations for Properties of Crystals with Cubic Symmetry", J. Phys. Chem. A, vol. 119, 2015, pp. 5288-5304. [doi]