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	Pour les 74 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations Hichem Dammak , Ekaterina Antoshchenkova , Marc Hayoun , Fabio R.D. Finocchi Journal of Physics: Condensed Matter, 2012, 24, pp.435402. ⟨10.1088/0953-8984/24/43/435402⟩ Article dans une revue hal-01932743v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum driven proton diffusion in brucite-like minerals under high pressure Sofiane Schaack , Philippe Depondt , Simon Huppert , Fabio Finocchi Scientific Reports, 2020, 10 (1), ⟨10.1038/s41598-020-64813-8⟩ Article dans une revue hal-02935811v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A filled ice methane hydrate stable up to 1.5 Mbar Richard Gaal , Sofiane Schaack , Umbertoluca Ranieri , Philippe Depondt , Philippe Gillet , et al. AGUFM, Dec 2019, San Francisco, CA, United States. pp.MR23D-0126 Communication dans un congrès hal-03029397v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics M. Bertolus , Fabio Finocchi , Ph. Millié Journal of Chemical Physics, 2004, 120 (9), pp.4333. ⟨10.1063/1.1636717⟩ Article dans une revue hal-00005031v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Common fingerprint of hydroxylated non-polar steps on MgO smoke and MgO films L. Savio , M. Smerieri , A. Orzelli , L. Vattuone , M. Rocca , et al. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2010, 604 (3-4), pp.252-257. ⟨10.1016/j.susc.2009.11.013⟩ Article dans une revue istex hal-01241545v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability and stoichiometry of (polar) oxide surfaces for varying oxygen chemical potential A. Barbier , A. Stierle , F. Finocchi , J. Jupille Journal of Physics: Condensed Matter, 2008, 20 (18), pp.184014. ⟨10.1088/0953-8984/20/18/184014⟩ Article dans une revue hal-01293330v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fe-induced spin-polarized electronic states in a realistic semiconductor tunnel barrier Massimiliano Marangolo , Fabio Finocchi Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 77, pp.115342. ⟨10.1103/PhysRevB.77.115342⟩ Article dans une revue hal-00343938v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Grazing incidence fast atom diffraction: An innovative approach to surface structure analysis H. Khemliche , Patrick Rousseau , P. Roncin , Victor H. Etgens , Fabio Finocchi Applied Physics Letters, 2009, 95 (15), pp.151901. ⟨10.1063/1.3246162⟩ Article dans une revue hal-01215269v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The effects of exchange and correlation on the computed equilibrium shapes of wet MgO crystallites F. Finocchi , J. Goniakowski Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2007, 601 (18), pp.4144-4148. ⟨10.1016/j.susc.2007.04.166⟩ Article dans une revue istex hal-01293292v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Topologically frustrated ionisation in a water-ammonia ice mixture C. Liu , A. Mafety , J. A. Queyroux , C. W. Wilson , H. Zhang , et al. Nature Communications, 2017, 8 (1), 8 p. ⟨10.1038/s41467-017-01132-z⟩ Article dans une revue hal-01721585v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		How methane hydrate recovers at very high pressure the hexagonal ice structure S. Schaack , Ph. Depondt , M. Moog , F. Pietrucci , Fabio Finocchi Journal of Chemical Physics, 2020, 152 (2), pp.024504. ⟨10.1063/1.5129617⟩ Article dans une revue hal-03029341v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermal and nuclear quantum effects in the hydrogen bond dynamical symmetrization phase transition of δ-AlOOH Yael Bronstein , Philippe Depondt , Fabio Finocchi European Journal of Mineralogy, 2017, 29 (3), pp.385-395. ⟨10.1127/ejm/2017/0029-2628⟩ Article dans une revue hal-01479053v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Observation of methane filled hexagonal ice stable up to 150 GPa Sofiane Schaack , Umbertoluca Ranieri , Philippe Depondt , Richard Gaal , Werner F Kuhs , et al. Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (33), pp.16204-16209. ⟨10.1073/pnas.1904911116⟩ Article dans une revue hal-02272820v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations Fabien Brieuc , Yael Bronstein , Hichem Dammak , Philippe Depondt , Fabio Finocchi , et al. Journal of Chemical Theory and Computation, 2016, 12 (12), pp.DOI: 10.1021/acs.jctc.6b00684. ⟨10.1021/acs.jctc.6b00684⟩ Article dans une revue hal-01401689v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The crystal structure of Rb2Ti2O5 Rémi Federicci , Benoit Baptiste , Fabio R.D. Finocchi , Florin Popa , Luc Brohan , et al. Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2017, 73 (6), pp.1142-1150. ⟨10.1107/S2052520617013646⟩ Article dans une revue hal-01985276v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Composite Nanoparticles Pietro Calandra , Valeria La Parola , Vincenzo Turco Liveri , Elefterios Lidorikis , Fabio Finocchi Journal of Chemistry , 2013, 2013, pp.536341. ⟨10.1155/2013/536341⟩ Article dans une revue hal-01243102v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The fluctuation-dissipation theorem as a diagnosis and cure for zero-point energy leakage in quantum thermal bath simulations Etienne Mangaud , Simon Huppert , Thomas Plé , Philippe Depondt , Sara Bonella , et al. Journal of Chemical Theory and Computation, 2019, 15 (5), pp.2863-2880. ⟨10.1021/acs.jctc.8b01164⟩ Article dans une revue hal-02171352v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		H-bond symmetrization in high pressure methane hydrate Sofiane Schaack , Philippe Depondt , Fabio Finocchi XXIXth IUPAP Conference on Computational Physics CCP2017, 2017, Paris, France. pp.012018, ⟨10.1088/1742-6596/1136/1/012018⟩ Communication dans un congrès hal-03941729v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Competing mechanisms in the atomic diffusion of a MgO admolecule on the MgO(001) surface Grégory Geneste , Marc Hayoun , Fabio Finocchi , Joseph Morillo Journal of Physics: Condensed Matter, 2009, 21 (31), pp.315004. ⟨10.1088/0953-8984/21/31/315004⟩ Article dans une revue hal-00420230v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001) Sara Laporte , Fabio Finocchi , Lorenzo Paulatto , Marc Blanchard , Etienne Balan , et al. Physical Chemistry Chemical Physics, 2015, 17 (31), pp.20382-20390. ⟨10.1039/c5cp02097b⟩ Article dans une revue hal-01323393v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electron redistribution in low-dimensional oxide structures Claudine Noguera , Ariana Pojani , Petr Casek , Fabio Finocchi Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2002, 507-510, pp.245. ⟨10.1016/S0039-6028(02)01254-2⟩ Article dans une revue istex hal-00004508v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability and electronic structure of the $(1\times 1)$ SrTiO$_3$(110) polar surfaces by first principles calculations Francois Bottin , Claudine Noguera , Fabio Finocchi 2003 Pré-publication, Document de travail hal-00000295v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Sampling the thermal Wigner density via a generalized Langevin dynamics Thomas Plé , Simon Huppert , Fabio Finocchi , Philippe Depondt , Sara Bonella Journal of Chemical Physics, 2019, 151 (11), pp.114114. ⟨10.1063/1.5099246⟩ Article dans une revue hal-02298223v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic properties and modifications of acid-base strengths at non-stoichiometric and polar surfaces Fabio Finocchi , Claudine Noguera Acid-Base Interactions Ed. K.L. Mittal, 2000, Vol2, pp.187-204 Article dans une revue hal-00005739v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The role of hydroxylation in the step stability and in the interaction between steps: a first-principles study of vicinal MgO surfaces Fabio Finocchi , Pascale Geysermans , Antonin Bourgeois Physical Chemistry Chemical Physics, 2012, 14 (39), pp.13692-13701. ⟨10.1039/c2cp41835e⟩ Article dans une revue hal-01243119v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The quantum taste of hydrogen Philippe Depondt , Simon Huppert , Fabio Finocchi EPJ Web of Conferences, 2022, 263, pp.01014. ⟨10.1051/epjconf/202226301014⟩ Article dans une revue hal-03872302v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		SrTiO(3) substrates capped with a GaAs monolayer: An ab initio study François Bottin , Fabio Finocchi Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76 (16), pp.165427. ⟨10.1103/PhysRevB.76.165427⟩ Article dans une revue hal-01293291v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic structure of surfaces Fabio R.D. Finocchi Physics of Solid Surfaces, 2015, 978-3-662-47735-9. ⟨10.1007/978-3-662-47736-6⟩ Chapitre d'ouvrage hal-01479045v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals Fabio Finocchi , Erika Fallacara , Philippe Depondt , Simon Huppert , Michele Ceotto Journal of Physical Chemistry C, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩ Article dans une revue hal-03418844v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths Simon Huppert , Thomas Plé , Sara Bonella , Philippe Depondt , Fabio Finocchi Applied Sciences, 2022, 12 (9), pp.4756. ⟨10.3390/app12094756⟩ Article dans une revue hal-03872313v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations

Quantum driven proton diffusion in brucite-like minerals under high pressure

A filled ice methane hydrate stable up to 1.5 Mbar

Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics

Common fingerprint of hydroxylated non-polar steps on MgO smoke and MgO films

Stability and stoichiometry of (polar) oxide surfaces for varying oxygen chemical potential

Fe-induced spin-polarized electronic states in a realistic semiconductor tunnel barrier

Grazing incidence fast atom diffraction: An innovative approach to surface structure analysis

The effects of exchange and correlation on the computed equilibrium shapes of wet MgO crystallites

Topologically frustrated ionisation in a water-ammonia ice mixture

How methane hydrate recovers at very high pressure the hexagonal ice structure

Thermal and nuclear quantum effects in the hydrogen bond dynamical symmetrization phase transition of δ-AlOOH

Observation of methane filled hexagonal ice stable up to 150 GPa

Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations

The crystal structure of Rb2Ti2O5

Composite Nanoparticles

The fluctuation-dissipation theorem as a diagnosis and cure for zero-point energy leakage in quantum thermal bath simulations

H-bond symmetrization in high pressure methane hydrate

Competing mechanisms in the atomic diffusion of a MgO admolecule on the MgO(001) surface

Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001)

Electron redistribution in low-dimensional oxide structures

Stability and electronic structure of the $(1\times 1)$ SrTiO$_3$(110) polar surfaces by first principles calculations

Sampling the thermal Wigner density via a generalized Langevin dynamics

Electronic properties and modifications of acid-base strengths at non-stoichiometric and polar surfaces

The role of hydroxylation in the step stability and in the interaction between steps: a first-principles study of vicinal MgO surfaces

The quantum taste of hydrogen

SrTiO(3) substrates capped with a GaAs monolayer: An ab initio study

Electronic structure of surfaces

Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals

Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths