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Pascal Pernot

Showing results (11-20 of 49) with videos related to

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The Journal of Chemical Physics|July 2, 2018
Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errorsPascal Pernot, Andreas Savin
The Journal of Chemical Physics|October 15, 2010
Knowledge-based probabilistic representations of branching ratios in chemical networks: the case of dissociative recombinationsSylvain Plessis, Nathalie Carrasco, Pascal Pernot
Journal of Computational Chemistry|December 10, 2013
Calibration of forcefields for molecular simulation: sequential design of computer experiments for building cost-efficient kriging metamodelsFabien Cailliez, Arnaud Bourasseau, Pascal Pernot
The Journal of Physical Chemistry. A|January 29, 2015
Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetryPascal Pernot, Bartolomeo Civalleri, Davide Presti, et al.
The Journal of Physical Chemistry Letters|August 16, 2015
Reactivity of the Strongest Oxidizing Species in Aqueous Solutions: The Short-Lived Radical Cation H2O(•.)Jun Ma, Uli Schmidhammer, Pascal Pernot, et al.
The Journal of Physical Chemistry. A|August 4, 2006
Mechanism of C-O activation in dimethoxyethane cationic iron complexesSophie Le Caër, Michel Heninger, Pascal Pernot, et al.
Journal of Molecular Modeling|February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?Neil Qiang Su, Pascal Pernot, Xin Xu, et al.
Analytical Chemistry|January 28, 2010
Tholinomics--chemical analysis of nitrogen-rich polymersPascal Pernot, Nathalie Carrasco, Roland Thissen, et al.
Plos One|August 29, 2019
Quantitative measures of corneal transparency, derived from objective analysis of depth-resolved corneal images, demonstrated with full-field optical coherence tomographic microscopyRomain Bocheux, Pascal Pernot, Vincent Borderie, et al.
Faraday Discussions|February 10, 2011
Photochemical modeling of Titan atmosphere at the "10 percent uncertainty horizon"Zhe Peng, Michel Dobrijevic, Eric Hébrard, et al.
Pageof 5

Showing results (11-20 of 49) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|July 2, 2018
Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errorsPascal Pernot, Andreas Savin
The Journal of Chemical Physics|October 15, 2010
Knowledge-based probabilistic representations of branching ratios in chemical networks: the case of dissociative recombinationsSylvain Plessis, Nathalie Carrasco, Pascal Pernot
Journal of Computational Chemistry|December 10, 2013
Calibration of forcefields for molecular simulation: sequential design of computer experiments for building cost-efficient kriging metamodelsFabien Cailliez, Arnaud Bourasseau, Pascal Pernot
The Journal of Physical Chemistry. A|January 29, 2015
Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetryPascal Pernot, Bartolomeo Civalleri, Davide Presti, et al.
The Journal of Physical Chemistry Letters|August 16, 2015
Reactivity of the Strongest Oxidizing Species in Aqueous Solutions: The Short-Lived Radical Cation H2O(•.)Jun Ma, Uli Schmidhammer, Pascal Pernot, et al.
The Journal of Physical Chemistry. A|August 4, 2006
Mechanism of C-O activation in dimethoxyethane cationic iron complexesSophie Le Caër, Michel Heninger, Pascal Pernot, et al.
Journal of Molecular Modeling|February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?Neil Qiang Su, Pascal Pernot, Xin Xu, et al.
Analytical Chemistry|January 28, 2010
Tholinomics--chemical analysis of nitrogen-rich polymersPascal Pernot, Nathalie Carrasco, Roland Thissen, et al.
Plos One|August 29, 2019
Quantitative measures of corneal transparency, derived from objective analysis of depth-resolved corneal images, demonstrated with full-field optical coherence tomographic microscopyRomain Bocheux, Pascal Pernot, Vincent Borderie, et al.
Faraday Discussions|February 10, 2011
Photochemical modeling of Titan atmosphere at the "10 percent uncertainty horizon"Zhe Peng, Michel Dobrijevic, Eric Hébrard, et al.
Pageof 5