Recherche - Archive ouverte HAL

Document
16
Notice
7

Article dans une revue
23

anglais
23

		A molecular density functional theory approach to electron transfer reactions Guillaume Jeanmairet , Benjamin Rotenberg , Maximilien Levesque , Daniel Borgis , Mathieu Salanne Chemical Science, 2019, 10 (7), pp.2130-2143. ⟨10.1039/c8sc04512g⟩ Article dans une revue hal-02055678v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dielectric response of confined water films from a classical density functional theory perspective D. Borgis , Damien Laage , Luc Belloni , Guillaume Jeanmairet Chemical Science, 2023, 2023 (14), pp.11141-11150. ⟨10.1039/D3SC01267K⟩ Article dans une revue hal-04241385v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electron transfer of functionalized quinones in acetonitrile Tzu-Yao Hsu , Roxanne Berthin , Alessandra Serva , Kyle Reeves , Mathieu Salanne , et al. Journal of Chemical Physics, 2022, 157 (9), pp.094103. ⟨10.1063/5.0102238⟩ Article dans une revue hal-03800562v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections Volodymyr P. Sergiievskyi , Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Physical Chemistry Letters, 2014, 5 (11), ⟨10.1021/jz500428s⟩ Article dans une revue hal-01308791v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory of water describing hydrophobicity at short and long length scales Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Chemical Physics, 2013, 139 (15), ⟨10.1063/1.4824737⟩ Article dans une revue hal-01308799v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Solvation of complex surfaces via molecular density functional theory Maximilien Levesque , Virginie Marry , Benjamin Rotenberg , Guillaume Jeanmairet , Rodolphe Vuilleumier , et al. Journal of Chemical Physics, 2012, 137 (22), ⟨10.1063/1.4769729⟩ Article dans une revue hal-01308817v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation Daniel Borgis , Sohvi Luukkonen , Luc Belloni , Guillaume Jeanmairet Journal of Physical Chemistry B, 2020, 124, pp.6885-6893. ⟨10.1021/acs.jpcb.0c04496⟩ Article dans une revue cea-02899078v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems Abel Marin-Laflèche , Matthieu Haefele , Laura Scalfi , Alessandro Coretti , Thomas Dufils , et al. Journal of Open Source Software, 2020, 5 (53), pp.2373. ⟨10.21105/joss.02373⟩ Article dans une revue hal-02975415v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Solvation free-energy pressure corrections in the three dimensional reference interaction site model Volodymyr Sergiievskyi , Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Chemical Physics, 2015, 143 (18), pp.184116. ⟨10.1063/1.4935065⟩ Article dans une revue hal-01308776v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Study of a water-graphene capacitor with molecular density functional theory Guillaume Jeanmairet , Benjamin Rotenberg , Daniel Borgis , Mathieu Salanne Journal of Chemical Physics, 2019, 151 (12), pp.124111. ⟨10.1063/1.5118301⟩ Article dans une revue hal-02348703v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile Kyle G Reeves , Alessandra Serva , Guillaume Jeanmairet , Mathieu Salanne Physical Chemistry Chemical Physics, 2020, 22 (19), pp.10561-10568. ⟨10.1039/C9CP06658F⟩ Article dans une revue hal-02884171v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: A Simulation Study Zhujie Li , Guillaume Jeanmairet , Trinidad Méndez-Morales , Benjamin Rotenberg , Mathieu Salanne Journal of Physical Chemistry C, 2018, 122 (42), pp.23917-23924. ⟨10.1021/acs.jpcc.8b07557⟩ Article dans une revue hal-02347041v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multi-scale simulation of the adsorption of lithium ion on graphite surface Michele Ruggeri , Kyle Reeves , Tzu-Yao Hsu , Guillaume Jeanmairet , Mathieu Salanne , et al. Journal of Chemical Physics, 2022, 156 (9), pp.094709. ⟨10.1063/5.0082944⟩ Article dans une revue hal-03607697v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tackling Solvent Effects by Coupling Electronic and Molecular Density Functional Theory Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Chemical Theory and Computation, 2020, ⟨10.1021/acs.jctc.0c00729⟩ Article dans une revue hal-02989427v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydration of clays at the molecular scale: the promising perspective of classical density functional theory Guillaume Jeanmairet , Virginie Marry , Maximilien Levesque , Benjamin Rotenberg , Daniel Borgis Molecular Physics, 2014, 112 (9-10), ⟨10.1080/00268976.2014.899647⟩ Article dans une revue hal-01308788v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory for water with liquid-gas coexistence and correct pressure Guillaume Jeanmairet , Maximilien Levesque , Volodymyr Sergiievskyi , Daniel Borgis Journal of Chemical Physics, 2015, 142 (15), pp.154112. ⟨10.1063/1.4917485⟩ Article dans une revue hal-01308781v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tuning the water reduction through controlled nanoconfinement within an organic liquid matrix Nicolas Dubouis , Alessandra Serva , Roxanne Berthin , Guillaume Jeanmairet , Benjamin Porcheron , et al. Nature Catalysis, 2020, 3 (8), pp.656-663. ⟨10.1038/s41929-020-0482-5⟩ Article dans une revue hal-02967895v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Introduction to Classical Density Functional Theory by a Computational Experiment Guillaume Jeanmairet , Nicolas Lévy , Maximilien Levesque , Daniel Borgis Journal of Chemical Education, 2014, 91 (12), ⟨10.1021/ed500049m⟩ Article dans une revue hal-01308784v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Simulating electrochemical systems by combining the finite field method with a constant potential electrode Thomas Dufils , Guillaume Jeanmairet , Benjamin Rotenberg , Michiel Sprik , Mathieu Salanne Physical Review Letters, 2019, 123 (19), ⟨10.1103/PhysRevLett.123.195501⟩ Article dans une revue hal-02347013v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory of water including density–polarization coupling Guillaume Jeanmairet , Nicolas Lévy , Maximilien Levesque , Daniel Borgis Journal of Physics: Condensed Matter, 2016, 28 (24), ⟨10.1088/0953-8984/28/24/244005⟩ Article dans une revue hal-01308758v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory of water Guillaume Jeanmairet , Maximilien Levesque , Rodolphe Vuilleumier , Daniel Borgis Journal of Physical Chemistry Letters, 2013, 4 (4), ⟨10.1021/jz301956b⟩ Article dans une revue hal-01308802v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Microscopic Simulations of Electrochemical Double-Layer Capacitors Guillaume Jeanmairet , Benjamin Rotenberg , Mathieu Salanne Chemical Reviews, 2022, 122 (12), pp.10860 - 10898. ⟨10.1021/acs.chemrev.1c00925⟩ Article dans une revue hal-03701462v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Confinement effects on an electron transfer reaction in nanoporous carbon electrodes Zhujie Li , Guillaume Jeanmairet , Trinidad Méndez-Morales , Mario Burbano , Matthieu Haefele , et al. Journal of Physical Chemistry Letters, 2017, 8, pp.1925 - 1931. ⟨10.1021/acs.jpclett.7b00458⟩ Article dans une revue hal-01510363v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

A molecular density functional theory approach to electron transfer reactions

Dielectric response of confined water films from a classical density functional theory perspective

Electron transfer of functionalized quinones in acetonitrile

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections

Molecular density functional theory of water describing hydrophobicity at short and long length scales

Solvation of complex surfaces via molecular density functional theory

Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation

MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems

Solvation free-energy pressure corrections in the three dimensional reference interaction site model

Study of a water-graphene capacitor with molecular density functional theory

A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: A Simulation Study

Multi-scale simulation of the adsorption of lithium ion on graphite surface

Tackling Solvent Effects by Coupling Electronic and Molecular Density Functional Theory

Hydration of clays at the molecular scale: the promising perspective of classical density functional theory

Molecular density functional theory for water with liquid-gas coexistence and correct pressure

Tuning the water reduction through controlled nanoconfinement within an organic liquid matrix

Introduction to Classical Density Functional Theory by a Computational Experiment

Simulating electrochemical systems by combining the finite field method with a constant potential electrode

Molecular density functional theory of water including density–polarization coupling

Molecular density functional theory of water

Microscopic Simulations of Electrochemical Double-Layer Capacitors

Confinement effects on an electron transfer reaction in nanoporous carbon electrodes