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authIdHal_s : pascal-pernot

Bayesian calibration of force fields for molecular simulations

Fabien Cailliez , Pascal Pernot , Francesco Rizzi , Reese Jones , Omar Knio , et al.
Uncertainty Quantification in Multiscale Materials Modeling, Elsevier, pp.169-227, 2020, ⟨10.1016/B978-0-08-102941-1.00006-7⟩
Book sections hal-02563598v1

Acknowledging User Requirements for Accuracy in Computational Chemistry Benchmarks

Andreas Savin , Pascal Pernot
Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2019, 14 (8), pp.e0221707. ⟨10.1002/zaac.202000109⟩
Journal articles hal-02563664v1
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Bayesian analysis of signal deconvolution using measured instrument response functions

Pascal Pernot
Preprints, Working Papers, ... hal-00022916v2
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Vers une recherche reproductible

Loic Desquilbet , Sabrina Granger , Boris Hejblum , Arnaud Legrand , Pascal Pernot , et al.
Unité régionale de formation à l'information scientifique et technique de Bordeaux. Unité régionale de formation à l'information scientifique et technique de Bordeaux, pp.1-161, 2019, 979-10-97595-05-0
Books hal-02144142v3
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Gaseous chemistry for a Titan's atmospheric plasma experimental simulation

Nathalie Carrasco , Thomas Gautier , Ella Sciamma-O'Brien , Cyril Szopa , Guy Cernogora , et al.
European Planetary Science Congress 2010, Sep 2010, Rome, Italy. EPSC2010-418 (2p.)
Conference papers hal-00665789v1

Direct observation of the oxidation of DNA bases by phosphate radicals formed under radiation: a model of the backbone-to-base hole transfer

Jun Ma , Jean-Louis Marignier , Pascal Pernot , Chantal Houée-Levin , Anil Kumar , et al.
Physical Chemistry Chemical Physics, 2018, 20, pp.14927-14937. ⟨10.1039/C8CP00352A⟩
Journal articles hal-04130006v1

Prediction uncertainty in computational chemistry

Pascal Pernot
Benchmarking of electronic structure methods for non-covalent interactions (CECAM Flagship workshop), Majdi Hochlaf; Ricardo Mata; Daniel Obenchain, Nov 2021, Champs-sur-Marne, France
Conference papers hal-04062457v1

Identification of Transient Radical Anions (LiClO 4 ) n − (n = 1−3) in THF Solutions: Experimental and Theoretical Investigation on Electron Localization in Oligomers

Jun Ma , Pierre Archirel , Pascal Pernot , Uli Schmidhammer , Sophie Le Caër , et al.
Journal of Physical Chemistry B, 2016, 120, pp.773-784. ⟨10.1021/acs.jpcb.5b11315⟩
Journal articles cea-01278020v1

Superoxide radical anions protect enkephalin from oxidation if the amine group is blocked

O. Mozziconacci , J. Mirkowski , F. Rusconi , P. Pernot , K. Bobrowski , et al.
Free Radical Biology and Medicine, 2007, 43 (2), pp.229-240
Journal articles hal-00187992v1
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Influence of neutral transport on ion chemistry uncertainties in Titan ionosphere

Nathalie Carrasco , Eric Hébrard , M. Banaszkiewicz , M. Dobrijevic , P. Pernot
Icarus, 2007, 192, pp.519-526. ⟨10.1016/j.icarus.2007.08.016⟩
Journal articles hal-00177563v1

Ex vivo fluorescence imaging of normal and malignant urothelial cells to enhance early diagnosis

Karine Steenkeste , Sandrine Lecart , Ariane Deniset , Pascal Pernot , Pascal Eschwege , et al.
Photochemistry and Photobiology, 2007, 83 (5), p. 1157-1166. ⟨10.1111/j.1751-1097.2007.00079.x⟩
Journal articles istex hal-00187025v1
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Photochemical modeling of Titan atmosphere at the "10 percent uncertainty horizon

Zhe Peng , M. Dobrijevic , Eric Hébrard , Nathalie Carrasco , Pascal Pernot
Faraday Discussions, 2010, 147, pp.137-153. ⟨10.1039/c003366a⟩
Journal articles istex hal-00509656v1
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HPLC-Orbitrap analysis for identification of organic molecules in complex material

Thomas Gautier , Isabelle Schmitz-Afonso , Nathalie Carrasco , D. Touboul , Cyril Szopa , et al.
European planetary science congress (EPSC), Sep 2015, Nantes, France. pp.801-802
Conference papers insu-01208003v1

Volatile products controlling Titan's tholins production

Nathalie Carrasco , Thomas Gautier , Et-Touhami Es-Sebbar , Pascal Pernot , Guy Cernogora
Icarus, 2012, 219 (1), pp.230-240. ⟨10.1016/j.icarus.2012.02.034⟩
Journal articles istex hal-00678297v1
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Chemistry in Titan’s ionosphere: contribution of dissociative recombination to an ion- neutral coupled model

Sylvain Plessis , P. Pernot , Nathalie Carrasco
European Planetary Science Congress 2009, Sep 2009, Potsdam, Germany. pp.EPSC2009-148
Conference papers insu-02896805v1

New laboratory approach to study Titan ionospheric chemistry

Roland Thissen , Odile Dutuit , P. Pernot , Nathalie Carrasco , Jean Lilensten , et al.
European Planetary Science Congress 2006, 2006, Berlin, Germany
Conference papers insu-00358084v1

Sensitivity and uncertainty analysis for ionospheric chemistry

P. Pernot
Workshop on Physical-Chemistry in Titan Atmosphere, 2005, France
Conference papers hal-00089177v1

Solvation Dynamics of the Electron Produced by Two-Photon Ionization of Liquid Polyols. 1. Ethylene Glycol

B. Soroushian , I. Lampre , J. Bonin , P. Pernot , S. Pommeret , et al.
Journal of Physical Chemistry A, 2006, 110 (5), pp.1705-1717
Journal articles hal-00088380v1

Picosecond Pulse Radiolysis Study on the Radiation-Induced Reactions in Neat Tributyl Phosphate

Furong Wang , Gregory Horne , Pascal Pernot , Pierre Archirel , Mehran Mostafavi
Journal of Physical Chemistry B, 2018, 122 (28), pp.7134-7142. ⟨10.1021/acs.jpcb.8b03715⟩
Journal articles hal-02106988v1
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Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors

Pascal Pernot , Andreas Savin
Journal of Chemical Physics, 2018, 148 (24), pp.241707. ⟨10.1063/1.5016248⟩
Journal articles hal-02010898v1
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Towards Objective Corneal Transparency Assessment in the Clinical Setting: Correction of Acquisition Artifacts in Spectral-domain OCT Images

Maëlle Vilbert , Romain Bocheux , Hugo Lama , Cristina Georgeon , Vincent Borderie , et al.
OSA Imaging and Applied Optics Congress 2021 (3D, COSI, DH, ISA, pcAOP), 2021, Washington, United States. paper ITu1D.5, ⟨10.1364/ISA.2021.ITu1D.5⟩
Conference papers hal-03445432v1

First low temperature study of Titan's atmosphere reactivity with a cold plasma discharge in a nitrogen-methane gas mixture

Nathalie Carrasco , Cyril Szopa , Ella Sciamma-O'Brien , Jean-Jacques Correia , Guy Cernogora , et al.
Faraday Discussion 147 Chemistry of the Planets, Jun 2010, Saint Jacut de la Mer, France
Conference poster hal-00669337v1

Camptothecins-guanine interactions: mechanism of charge transfer reaction upon photoactivation

K. Steenkeste , Elvire Guiot , F. Tfibel , Pascal Pernot , Fabienne Merola , et al.
Chemical Physics, 2002, 275, pp.93-108
Journal articles hal-00761465v1

Comparison of recent estimators of uncertainty on the mean for small measurement samples with normal and non-normal error distributions

Pascal Pernot , Jean-Paul Berthet
Preprints, Working Papers, ... hal-03784456v1

Two or three things I'm sure about uncertainty

Pascal Pernot
Taming The Uncertainty Monster, Marie Gueguen; François Lique; Sébastien Le Picard, Jul 2022, Rennes, France
Conference papers hal-04062489v1

Oxygen anion (O − ) and hydroxide anion (HO − ) reactivity with a series of old and new refrigerants

Clotilde Le Vot , Joel Lemaire , Pascal Pernot , Michel Heninger , Helene Mestdagh , et al.
Journal of Mass Spectrometry, 2018, 53 (4), pp.336-352. ⟨10.1002/jms.4054⟩
Journal articles hal-02322650v1
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Photochemistry simulation of planetary atmosphere using synchrotron radiation at Soleil. Application to Titan's atmosphere

Thomas Gautier , Zhe Peng , A. Giuliani , Nathalie Carrasco , Guy Cernogora , et al.
EAS Publications Series, 2012, 58, pp.199-203. ⟨10.1051/eas/1258031⟩
Journal articles hal-00830867v1
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Probabilistic representations of partial branching ratios: bridging the gap between experiments and chemical models

Pascal Pernot , Sylvain Plessis , Nathalie Carrasco
Journal of Physics: Conference Series, 2011, 300, pp.012027. ⟨10.1088/1742-6596/300/1/012027⟩
Journal articles hal-00618935v1
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Anisotropic Time-Resolved Dynamics of Crystal Growth Induced by a Single Laser Pulse Nucleation

Sarah Al Gharib , Abdel Karim El Omar , Adnan Naja , Ariane Deniset-Besseau , Sergey Denisov , et al.
Crystal Growth & Design, 2021, 21 (2), pp.799-808. ⟨10.1021/acs.cgd.0c01016⟩
Journal articles hal-03322576v1

Geminate recombination measurements of solvated electron in THF using laser-synchronized picosecond electron pulse

V. de Waele , S. Sorgues , P. Pernot , J.-L. Marignier , H. Monard , et al.
Chemical Physics Letters, 2006, 423 (1-3), pp.30-34
Journal articles hal-00101615v1