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	Pour les 67 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

		Electron density analysis of the layered antiferromagnetic compound Cu_2 (OH)_3 NO_3 : relationship with the magnetic interaction mechanism S. Pillet , M. Souhassou , C. Lecomte , P. Rabu , M. Drillon , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73, pp.115116 Article dans une revue hal-00089604v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		First-principles calculations applied to molecular magnetism J. Kortus , C. Massobrio , M. Drillon J. Comput. Theor. Nanos., 2006, 3, pp.11-27 Article dans une revue hal-00211466v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electron density analysis of the layered antiferromagnetic compound Cu₂(OH)₃NO₃: Relationship with the magnetic interaction mechanism S. Pillet , M. Souhassou , C. Lecomte , P. Rabu , M. Drillon , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73, pp.115116/1-12 Article dans une revue hal-00211505v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density-driven defect-mediated network collapse of ${GeSe}_{2}$ glass Kamil Wezka , Assil Bouzid , Keiron J. Pizzey , Philip S. Salmon , Anita Zeidler , et al. Biophysical Reviews and Letters, 2014, 90 (5), pp.054206. ⟨10.1103/PhysRevB.90.054206⟩ Article dans une revue hal-01093430v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics Assil Bouzid , Hayat Zaoui , Pier Luca Palla , Guido Ori , Mauro Boero , et al. Physical Chemistry Chemical Physics, 2017, 19 (15), pp.9729-9732. ⟨10.1039/c7cp01063j⟩ Article dans une revue hal-02349381v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		MOLECULAR DYNAMICS STUDY OF AMORPHIZATION INDUCED BY CHEMICAL DISORDER IN CRYSTALLINE NiZr2 C. Massobrio Journal de Physique Colloques, 1990, 51 (C4), pp.C4-55-C4-61. ⟨10.1051/jphyscol:1990406⟩ Article dans une revue istex jpa-00230766v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Pressure-induced structural changes in the network-forming isostatic glass GeSe 4 : An investigation by neutron diffraction and first-principles molecular dynamics Assil Bouzid , Keiron Pizzey , Anita Zeidler , Guido Ori , Mauro Boero , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93 (1), ⟨10.1103/PhysRevB.93.014202⟩ Article dans une revue hal-02349375v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the actual difference between the Nosé and the Nosé‐Hoover thermostats : a critical review of canonical temperature control by molecular dynamics Carlo Massobrio , Irene Amiehe Essomba , Mauro Boero , Cheick Diarra , Mohammed Guerboub , et al. physica status solidi (b), 2023, ⟨10.1002/pssb.202300209⟩ Article dans une revue hal-04280276v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		First principles investigation of the atomic structure and magnetic properties of copper hydroxide acetate Fan Yang , Mauro Boero , Pierre Rabu , Carlo Massobrio Comptes Rendus. Chimie, 2012, 15 (2-3), pp.202-208. ⟨10.1016/j.crci.2011.09.007⟩ Article dans une revue hal-02996148v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties M. Celino , S. Le Roux , Guido Ori , Benoit Coasne , A. Bouzid , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (17), pp.174201. ⟨10.1103/PhysRevB.88.174201⟩ Article dans une revue hal-00919956v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Diffusion in Ni–Zr Melts: Insights from Statistical Mechanics and Atomistic Modeling Andreas Kromik , Elena V. Levchenko , Carlo Massobrio , Alexander V. Evteev Advanced Theory and Simulations, 2018, 1 (12), ⟨10.1002/adts.201800109⟩ Article dans une revue hal-03409737v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials Guido Ori , Assil Bouzid , Évelyne Martin , Carlo Massobrio , Sébastien Le Roux , et al. Solid State Sciences, 2019, 95, pp.105925. ⟨10.1016/j.solidstatesciences.2019.06.014⟩ Article dans une revue hal-02349474v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Atomic-scale structure of the glassy Ge 2 Sb 2 Te 5 phase change material: A quantitative assessment via first-principles molecular dynamics Assil Bouzid , Guido Ori , Mauro Boero , Evelyne Lampin , Carlo Massobrio Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (22), pp.224204. ⟨10.1103/PhysRevB.96.224204⟩ Article dans une revue hal-02349392v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Evaluating the Critical Roles of Precursor Nature and Water Content When Tailoring Magnetic Nanoparticles for Specific Applications Geoffrey Cotin , Céline Kiefer , Francis Perton , Mauro Boero , Burak Özdamar , et al. ACS Applied Nano Materials, 2018, 1 (8), pp.4306-4316. ⟨10.1021/acsanm.8b01123⟩ Article dans une revue hal-02349404v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tuning Magnetic Properties with Pressure in Hybrid Organic–Inorganic Materials: The Case of Copper Hydroxide Acetate Fan Yang , Carlo Massobrio , Mauro Boero Journal of Physical Chemistry C, 2014, 118 (32), pp.18700-18705. ⟨10.1021/jp503489g⟩ Article dans une revue hal-02991753v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Charge effects in silicon-doped heterofullerenes M. Matsubara , C. Massobrio Appl. Phys. A, 2007, 86, pp.289-292 Article dans une revue hal-00212171v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: the prototypical case of Cu₂(OH)₃NO₃ E. Ruiz , M. Llunell , J. Cano , P. Rabu , M. Drillon , et al. Journal of Physical Chemistry B, 2006, 110, pp.115-118 Article dans une revue hal-00211522v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Layered Simple Hydroxides Functionalized by Fluorene-Phosphonic Acids: Synthesis, Interface Theoretical Insights, and Magnetoelectric Effect Quentin Evrard , Ziyad Chaker , Mélissa Roger , Charlotte M. Sevrain , Emilie Delahaye , et al. Advanced Functional Materials, 2017, 27 (41), pp.1703576. ⟨10.1002/adfm.201703576⟩ Article dans une revue hal-01624542v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Atomic Structure of Glassy GeTe 4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces Pier Luigi Silvestrelli , Évelyne Martin , Mauro Boero , Assil Bouzid , Guido Ori , et al. Journal of Physical Chemistry B, 2020, 124 (49), pp.11273-11279. ⟨10.1021/acs.jpcb.0c08628⟩ Article dans une revue hal-03086320v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Chalcogenide glasses for innovation in applied science: fundamental issues and new insights Carlo Massobrio , Assil Bouzid , Mauro Boero , Guido Ori , Évelyne Martin , et al. Journal of Physics D: Applied Physics, 2020, 53 (3), pp.033002. ⟨10.1088/1361-6463/ab48a4⟩ Article dans une revue hal-02349413v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassy GeTe4 Assil Bouzid , Carlo Massobrio , Mauro Boero , Guido Ori , Kateryna Sykina , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92 (13), pp.134208. ⟨10.1103/PhysRevB.92.134208⟩ Article dans une revue hal-01236438v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		First-principles study of the atomic structure of glassy Ga10Ge15Te75 Z. Chaker , G. Ori , M. Boero , C. Massobrio , E. Furet , et al. Journal of Non-Crystalline Solids, 2015, 498, pp.338-344. ⟨10.1016/j.jnoncrysol.2018.03.039⟩ Article dans une revue hal-01861419v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interacting Lewis-X carbohydrates in condensed phase : a first-principles molecular dynamics study R. Zucca , M. Boero , C. Massobrio , C. Molteni , F. Cleri Journal of Physical Chemistry B, 2011, 115, pp.12599-12606. ⟨10.1021/jp2055816⟩ Article dans une revue hal-00783405v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Heat transport in disordered network forming materials: Size effects and existence of propagative modes Thuy-Quynh Duong , Carlo Massobrio , Mauro Boero , Guido Ori , Évelyne Martin Computational Materials Science, 2020, 177, pp.109607. ⟨10.1016/j.commatsci.2020.109607⟩ Article dans une revue hal-02990579v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Compositional Thresholds and Anomalies in Connection with Stiffness Transitions in Network Glasses M. Bauchy , M. Micoulaut , M. Boero , C. Massobrio Physical Review Letters, 2013, 110 (16), ⟨10.1103/PhysRevLett.110.165501⟩ Article dans une revue hal-02996114v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		First-Principles Study of Dissociation Processes for the Synthesis of Fe and Co Oxide Nanoparticles Burak Özdamar , Assil Bouzid , Guido Ori , Carlo Massobrio , Mauro Boero Journal of Chemical Theory and Computation, 2017, 14 (1), pp.225-235. ⟨10.1021/acs.jctc.7b00869⟩ Article dans une revue hal-02349398v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computer simulation of disordered structures and nanosystems : an atomic-scale view C. Massobrio , F. Cleri , R. Kozubski Solid State Sciences, 2010, 12, pp.155-156. ⟨10.1016/j.solidstatesciences.2010.01.016⟩ Article dans une revue istex hal-00549045v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics Evelyne Martin , Guido Ori , Thuy-Quynh Duong , Carlo Massobrio , Mauro Boero Journal of Non-Crystalline Solids, 2022, 581, pp.121434. ⟨10.1016/j.jnoncrysol.2022.121434⟩ Article dans une revue hal-03560461v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics Thuy-Quynh Duong , Carlo Massobrio , Guido Ori , Mauro Boero , Évelyne Martin Journal of Chemical Physics, 2020, 153 (7), pp.074704. ⟨10.1063/5.0014232⟩ Article dans une revue hal-02990565v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Challenges and opportunities of atomistic simulations for glass and amorphous materials Jincheng Du , Jose Pedro Rino , Carlo Massobrio , Alastair N. Cormack Journal of Non-Crystalline Solids, 2020, 547, ⟨10.1016/j.jnoncrysol.2020.120270⟩ Article dans une revue hal-03413698v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

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Electron density analysis of the layered antiferromagnetic compound Cu_2 (OH)_3 NO_3 : relationship with the magnetic interaction mechanism

First-principles calculations applied to molecular magnetism

Electron density analysis of the layered antiferromagnetic compound Cu2(OH)3NO3: Relationship with the magnetic interaction mechanism

Density-driven defect-mediated network collapse of GeSe2 glass

Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics

MOLECULAR DYNAMICS STUDY OF AMORPHIZATION INDUCED BY CHEMICAL DISORDER IN CRYSTALLINE NiZr2

Pressure-induced structural changes in the network-forming isostatic glass GeSe 4 : An investigation by neutron diffraction and first-principles molecular dynamics

On the actual difference between the Nosé and the Nosé‐Hoover thermostats : a critical review of canonical temperature control by molecular dynamics

First principles investigation of the atomic structure and magnetic properties of copper hydroxide acetate

First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties

Diffusion in Ni–Zr Melts: Insights from Statistical Mechanics and Atomistic Modeling

Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials

Atomic-scale structure of the glassy Ge 2 Sb 2 Te 5 phase change material: A quantitative assessment via first-principles molecular dynamics

Evaluating the Critical Roles of Precursor Nature and Water Content When Tailoring Magnetic Nanoparticles for Specific Applications

Tuning Magnetic Properties with Pressure in Hybrid Organic–Inorganic Materials: The Case of Copper Hydroxide Acetate

Charge effects in silicon-doped heterofullerenes

Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: the prototypical case of Cu2(OH)3NO3

Layered Simple Hydroxides Functionalized by Fluorene-Phosphonic Acids: Synthesis, Interface Theoretical Insights, and Magnetoelectric Effect

Atomic Structure of Glassy GeTe 4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces

Chalcogenide glasses for innovation in applied science: fundamental issues and new insights

Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassy GeTe4

First-principles study of the atomic structure of glassy Ga10Ge15Te75

Interacting Lewis-X carbohydrates in condensed phase : a first-principles molecular dynamics study

Heat transport in disordered network forming materials: Size effects and existence of propagative modes

Compositional Thresholds and Anomalies in Connection with Stiffness Transitions in Network Glasses

First-Principles Study of Dissociation Processes for the Synthesis of Fe and Co Oxide Nanoparticles

Computer simulation of disordered structures and nanosystems : an atomic-scale view

Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics

Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics

Challenges and opportunities of atomistic simulations for glass and amorphous materials

Electron density analysis of the layered antiferromagnetic compound Cu₂(OH)₃NO₃: Relationship with the magnetic interaction mechanism

Density-driven defect-mediated network collapse of ${GeSe}_{2}$ glass

Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: the prototypical case of Cu₂(OH)₃NO₃