Publications by authors named "Pierre Mignon"

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Investigation of Data Set Portability on Various Machine-Learned Interaction Potentials for Pyrophyllite Clay.
Chloe Sanz, Colin Bousige, Pierre Mignon

J Phys Chem A· December 2025

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Neural Network Atomistic Potential for Pyrophyllite Clay Simulations.
Chloe Sanz, Abdul-Rahman Allouche, Colin Bousige, Pierre Mignon

J Phys Chem A· April 2025

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Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties.
Pierre Mignon, Abdul-Rahman Allouche, Neil Richard Innis, Colin Bousige

J Am Chem Soc· December 2023

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Selective Adsorption of Organic Micro-Pollutants by Smectite Clays Revealed from Atomistic Simulations.
Mathieu Cancade, Thomas Thiebault, Pierre Mignon

Int J Mol Sci· September 2023

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Surface Chemistry of Gold Nanoparticles Produced by Laser Ablation in Pure and Saline Water.
Anna Lévy, Manuel De Anda Villa, Gaétan Laurens, Valérie Blanchet, John Bozek, Pierre Mignon

Langmuir· May 2021

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New zinc phthalocyanine derivatives for nitrogen dioxide sensors: A theoretical optoelectronic investigation.
Marwa Chaabene, Bouzid Gassoumi, Pierre Mignon, Rafik Ben Chaâbane, Abdul-Rahman Allouche

J Mol Graph Model· May 2019

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Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation.
Marin Vojkovic, Driss Rayane, Rodolphe Antoine, Michel Broyer, Abdul-Rahman Allouche, Pierre Mignon

J Phys Chem A· June 2017

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Solvent database and in silico classification: A new methodology for solvent substitution and its application for microencapsulation process.
Amélie Levet, Claire Bordes, Yohann Clément, Pierre Mignon, Henry Chermette

Int J Pharm· July 2016

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Fragmentation mechanisms of cytosine, adenine and guanine ionized bases.
Leila Sadr-Arani, Pierre Mignon, Henry Chermette, Hassan Abdoul-Carime, Bernadette Farizon

Phys Chem Chem Phys· May 2015

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Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands.
Frédéric Guégan, Pierre Mignon, Vincent Tognetti, Laurent Joubert, Christophe Morell

Phys Chem Chem Phys· August 2014

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Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study.
Federico Musso, Pierre Mignon, Piero Ugliengo, Mariona Sodupe

Phys Chem Chem Phys· August 2012

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DFT study of the fragmentation mechanism of uracil RNA base.
Leila Sadr Arani, Pierre Mignon, Hassan Abdoul-Carime, Bernadette Farizon, Michel Farizon

Phys Chem Chem Phys· July 2012

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Study of prepolymerization complex formation in the synthesis of steroid-based molecularly imprinted polymers.
Corinne Sanglar, Tim Jansen, Marius C Silaghi, Julien Mernier, Pierre Mignon

Anal Chem· May 2012

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Oxo iron(IV) as an oxidative active intermediate of p-chlorophenol in the Fenton reaction: a DFT study.
Pierre Mignon, Marc Pera-Titus, Henry Chermette

Phys Chem Chem Phys· March 2012

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Theoretical study of the adsorption of DNA bases on the acidic external surface of montmorillonite.
Pierre Mignon, Mariona Sodupe

Phys Chem Chem Phys· January 2012

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Ab initio molecular dynamics study of the hydration of Li(+), Na(+) and K(+) in a montmorillonite model. Influence of isomorphic substitution.
Pierre Mignon, Piero Ugliengo, Mariona Sodupe, Eduardo R Hernandez

Phys Chem Chem Phys· January 2010

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Understanding the reactivity and basicity of zeolites: a periodic DFT study of the disproportionation of N(2)O(4) on alkali-cation-exchanged zeolite Y.
Pierre Mignon, Evgeny A Pidko, Rutger A Van Santen, Paul Geerlings, Robert A Schoonheydt

Chemistry· September 2008

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Understanding the concept of basicity in zeolites. A DFT study of the methylation of Al-O-Si bridging oxygen atoms.
Pierre Mignon, Paul Geerlings, Robert Schoonheydt

J Phys Chem B· December 2006

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Influence of the pi-pi interaction on the hydrogen bonding capacity of stacked DNA/RNA bases.
Pierre Mignon, Stefan Loverix, Jan Steyaert, Paul Geerlings

Nucleic Acids Res· April 2005

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A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study.
Pierre Mignon, Jan Steyaert, Remy Loris, Paul Geerlings, Stefan Loverix

J Biol Chem· September 2002

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