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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 errors
Pascal 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 recombinations
Sylvain 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 metamodels
Fabien 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 symmetry
Pascal 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 complexes
Sophie 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 polymers
Pascal 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 microscopy
Romain 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.
Page
of 5
Search research articles
Search
Showing results (11-20 of 49) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 2, 2018
Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors
Pascal 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 recombinations
Sylvain 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 metamodels
Fabien 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 symmetry
Pascal 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 complexes
Sophie 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 polymers
Pascal 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 microscopy
Romain 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.
Page
of 5