Publications by authors named "Benoit Creton"

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A Coarse-Grained Model Describing the Critical Micelle Concentration of Perfluoroalkyl Surfactants in Ionic Aqueous Phase.
Eddy Barraud, Christine Dalmazzone, Aurélie Mouret, Theodorus De Bruin, Benoit Creton

Langmuir· March 2025

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Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: An Application to Water Adsorption on Alumina.
Loïc Dumortier, Céline Chizallet, Benoit Creton, Theodorus de Bruin, Toon Verstraelen

J Chem Theory Comput· May 2024

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Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs.
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi

J Chem Inf Model· September 2021

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Inverse-QSPR for de novo Design: A Review.
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi

Mol Inform· April 2020

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Simulations of Interfacial Tension of Liquid-Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models.
David Steinmetz, Benoit Creton, Véronique Lachet, Bernard Rousseau, Carlos Nieto-Draghi

J Chem Theory Comput· August 2018

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Chemoinformatics at IFP Energies Nouvelles: Applications in the Fields of Energy, Transport, and Environment.
Benoit Creton

Mol Inform· October 2017

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A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes.
Carlos Nieto-Draghi, Guillaume Fayet, Benoit Creton, Xavier Rozanska, Patricia Rotureau

Chem Rev· December 2015

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Prediction of Alternative Gasoline Sorption in a Semicrystalline Poly(ethylene).
Nicolas Villanueva, Bruno Flaconnèche, Benoit Creton

ACS Comb Sci· October 2015

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Surface photografting of acrylic acid on poly(dimethylsiloxane). Experimental and dissipative particle dynamics studies.
David Ramírez-Gutiérrez, Carlos Nieto-Draghi, Nicolas Pannacci, Laura V Castro, Fernando Álvarez-Ramírez, Benoit Creton

Langmuir· February 2015

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Extension of a charged anisotropic united atoms model to polycyclic aromatic compounds.
Benoit Creton, Theodorus de Bruin, Véronique Lachet, Carlos Nieto-Draghi

J Phys Chem B· May 2010

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Molecular dynamics study of hydrated imogolite. 2. Structure and dynamics of confined water.
Benoît Creton, Daniel Bougeard, Konstantin S Smirnov, Jean Guilment, Olivier Poncelet

Phys Chem Chem Phys· August 2008

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