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101 résultats

	Pour les 101 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 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

		Quantum solvent states and rovibrational spectra of small doped (3)He clusters through the full-configuration-interaction nuclear orbital approach: The ((3)He)(N)-Cl(2)(X) case (N <= 4) M. P. de Lara Castells , N. F. Aguirre , P. Villarreal , G. Delgado Barrio , Alexander Mitrushchenkov Journal of Chemical Physics, 2010, 132 (19), pp.194313. ⟨10.1063/1.3425997⟩ Article dans une revue hal-00692887v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Characterization of surface and nonlinear elasticity in wurtzite ZnO nanowires Julien Yvonnet , Alexander Mitrushchenkov , Gilberte Chambaud , Qi-Chang He , S.-T. Gu Journal of Applied Physics, 2012, 111 (-), pp.124305. ⟨10.1063/1.4729545⟩ Article dans une revue hal-00711329v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Low Energy Motion of H2 on a Metallic Surface Gilberte Chambaud , Marie Guitou , Eddy Bernard , Eric Cancès , Alexander Mitrushchenkov 2nd MOLIM General Meeting, Oct 2016, Dubrovnik, Croatia Communication dans un congrès hal-01601551v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Combined Periodic Density Functional and Incremental Wave-Function-based Approach for the Dispersion-Accounting Time-Resolved Dynamics of 4He Nanodroplets on Surfaces: 4He/Graphene M. P. de Lara Castells , H. Stoll , B. Civalleri , M. Causa , E. Voloshina , et al. Journal of Chemical Physics, 2014, 141 (15), pp.151102. ⟨10.1063/1.4898430⟩ Article dans une revue hal-01075401v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Simulation of of the Ã²Σ+–X̃²Π absorption and emission spectra of the SiCCl radical Alexander Mitrushchenkov , V. Brites , Céline Léonard Molecular Physics, 2015, 113 (13-14), pp.1695-1703. ⟨10.1080/00268976.2015.1005707⟩ Article dans une revue hal-01178828v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum study of inelastic processes in low-energy calcium–hydrogen collisions A Belyaev , D Vlasov , A. O. Mitrushchenkov , N. Feautrier Monthly Notices of the Royal Astronomical Society, 2019, 490 (3), pp.3384-3391. ⟨10.1093/mnras/stz2763⟩ Article dans une revue hal-02464746v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the Stability of Cu 5 Catalysts in Air Using Multireference Perturbation Theory Alexandre Zanchet , Patricia López-Caballero , Alexander Mitrushchenkov , David Buceta , Manuel Arturo López-Quintela , et al. Journal of Physical Chemistry C, 2019, 123 (44), pp.27064-27072. ⟨10.1021/acs.jpcc.9b08378⟩ Article dans une revue hal-02464715v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		High‐level ab initio evidence of bipyramidal Cu 5 clusters as fluxional Jahn‐Teller molecules Alexander Mitrushchenkov , María Pilar de Lara-Castells ChemPhysChem, 2023, 24 (19), pp.e202300317. ⟨10.1002/cphc.202300317⟩ Article dans une revue hal-04254382v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio ro-vibronic spectroscopy of SiCCl (X̃²Π) V. Brites , Alexander Mitrushchenkov , K. A. Peterson , Céline Léonard Journal of Chemical Physics, 2014, 141, pp.034305. ⟨10.1063/1.4889933⟩ Article dans une revue hal-01064533v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ni/Mn order in LiMn2-xNixO4 (0.38 ≤ x ≤ 0.50) positive electrode material: a gradual temperature-driven sublattice disorder through antiphase boundary defects Nicolas Emery , Ankush Bhatia , Yanis Ghaleb , Alexander O. Mitrushchenkov , Céline Léonard , et al. ISICXXI: 21st International Symposium on Intercalation Compounds, Jun 2023, Nancy, France Communication dans un congrès hal-04146866v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A new general Renner-Teller (including epsilon greater than or similar to 1) spectroscopic formalism for triatomic molecules Alexander Mitrushchenkov Journal of Chemical Physics, 2012, 136 (2), pp.024108. ⟨10.1063/1.3672162⟩ Article dans une revue hal-00692875v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamic of a physisorbed H2 on a metallic surface Gilberte Chambaud , Marie Guitou , Alexander Mitrushchenkov 4th Chinese-French-Workshop-Theoretical-Chemistry, Jun 2013, NANJING, China Communication dans un congrès hal-00832493v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Atomic Data on Inelastic Processes in Calcium–Hydrogen Collisions A. Belyaev , Y. V. Voronov , A. Yakovleva , A. O. Mitrushchenkov , M. Guitou , et al. The Astrophysical journal letters, 2017, 851 (1), ⟨10.3847/1538-4357/aa98da⟩ Article dans une revue hal-01663789v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Towards an elastic model of wurtzite AlN model Alexander Mitrushchenkov , Gilberte Chambaud , Julien Yvonnet , Qi-Chang He Nanotechnology, 2010, 21 (25), pp.255702. ⟨10.1088/0957-4484/21/25/255702⟩ Article dans une revue istex hal-00692224v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability of the HgS molecule and spectroscopy of its low lying electronic states C. Cressiot , Marie Guitou , A. O. Mitrushchenkov , Gilberte Chambaud Molecular Physics, 2007, 105 (9), pp.1207-1216 Article dans une revue hal-00767286v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio modelling of molecular hydrogen rotation in the outside of carbon nanotubes María Pilar de Lara-Castells , Alexander Mitrushchenkov Molecular Physics, 2019, 117 (13), pp.1746-1757. ⟨10.1080/00268976.2018.1555340⟩ Article dans une revue hal-02464725v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Calculation of transition moments between internally contracted MRCI wave functions with non-orthogonal orbitals Alexander Mitrushchenkov , H.-J. Werner Molecular Physics, 2007, 105 (9), pp.1239-1249. ⟨10.1080/00268970701326978⟩ Article dans une revue hal-00769186v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Piezoelectric Properties of AlN, ZnO, and HgxZn1-xO Nanowires by First-Principles Calculations Alexander Mitrushchenkov , Roberto Linguerri , Gilberte Chambaud Journal of Physical Chemistry C, 2009, 113 (17), pp.6883-6886. ⟨10.1021/jp9007015⟩ Article dans une revue hal-00712848v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modelisation of the piezoelectric sensors: from atoms to continuous media, from theoretical chemistry to mechanics Alexander Mitrushchenkov , M. T. Hoang , Julien Yvonnet , Gilberte Chambaud SCF15, Jul 2015, Lille, France Communication dans un congrès hal-01700933v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modélisation de capteurs piézoélectriques : des atomes au milieu continu, de la chimie théorique à la mécanique Alexander Mitrushchenkov , M.T. Hoang , Julien Yvonnet , Gilberte Chambaud SCF 15, Jul 2015, Lille, France Communication dans un congrès hal-01601371v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum motion of small molecular hydrogen clusters confined by carbon nanostructures Alexander O. Mitrushchenkov , María Pilar Delara Castells MQM2019, Jun 2019, Heidelberg, Germany Poster de conférence hal-02867080v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electron correlation effects in diamond: A wave-function quantum-chemistry study of the quasiparticle band structure Alexandrina Stoyanova , Alexander Mitrushchenkov , Liviu Hozoi , Hermann Stoll , Peter Fulde Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (23), pp.235121. ⟨10.1103/PhysRevB.89.235121⟩ Article dans une revue hal-01071571v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spectroscopy of physisorbed molecules Gilberte Chambaud , E. Bernard , C. Houriez , A. Mitrushchenkov , Marie Guitou Advances in Computational Spectroscopy CODECS 2014, Miroslav Medlev, Oct 2014, Bratislava, Slovakia Communication dans un congrès hal-01081752v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structural and spectroscopic study of the linear proton-bound complex of PN with HNP+ C. E. Cotton , J. S. Francisco , Alexander Mitrushchenkov Journal of Chemical Physics, 2013, 138 (7), pp.074314. ⟨10.1063/1.4790604⟩ Article dans une revue hal-00801761v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability and Reversible Oxidation of Sub‐Nanometric Cu 5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling** David Buceta , Shahana Huseyinova , Miguel Cuerva , Héctor Lozano , Lisandro Giovanetti , et al. Chemistry - A European Journal, 2023, 29 (49), pp.e202301517. ⟨10.1002/chem.202301517⟩ Article dans une revue hal-04254368v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches M. P. de Lara Castells , N. F. Aguirre , Alexander Mitrushchenkov Chemical Physics, 2012, 399 (1), pp.272-280. ⟨10.1016/j.chemphys.2011.07.013⟩ Article dans une revue istex hal-00769112v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Model estimates of inelastic calcium-hydrogen collision data for non-LTE stellar atmospheres modeling A. Belyaev , A. Yakovleva , M. Guitou , A. O. Mitrushchenkov , A. Spielfiedel , et al. Astronomy and Astrophysics - A&A, 2016, 587 (16), pp.3646 - 3653. ⟨10.1051/0004-6361/201527651⟩ Article dans une revue hal-01432745v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modeling piezoelectric sensors: from atoms to continuous media, from theoretical chemistry to mechanics. Alexander Mitrushchenkov , M.T. Hoang , Julien Yvonnet , H.L. Duan , Gilberte Chambaud 2015 International Congress of Quantum Chemistry, Jun 2015, Beijing, China Poster de conférence hal-01601324v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ionicity : piezoelectric effect from diatomics to the ionic nanowires Gilberte Chambaud , Alexander Mitrushchenkov , Roberto Linguerri Frontiers in Chemistry, Jul 2009, Singapour, Singapore Communication dans un congrès hal-00818839v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A computational method for modelling size and surface effects in crystalline nanowires based on Finite Elements and Quantum mechanics Julien Yvonnet , Alexander Mitrushchenkov , Gilberte Chambaud 16th US National Congress of Theoretical and Applied Mechanics, 2010, State College, United States Communication dans un congrès hal-00711421v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Quantum solvent states and rovibrational spectra of small doped (3)He clusters through the full-configuration-interaction nuclear orbital approach: The ((3)He)(N)-Cl(2)(X) case (N <= 4)

Characterization of surface and nonlinear elasticity in wurtzite ZnO nanowires

Low Energy Motion of H2 on a Metallic Surface

A Combined Periodic Density Functional and Incremental Wave-Function-based Approach for the Dispersion-Accounting Time-Resolved Dynamics of 4He Nanodroplets on Surfaces: 4He/Graphene

Simulation of of the Ã2Σ+–X̃2Π absorption and emission spectra of the SiCCl radical

Quantum study of inelastic processes in low-energy calcium–hydrogen collisions

On the Stability of Cu 5 Catalysts in Air Using Multireference Perturbation Theory

High‐level ab initio evidence of bipyramidal Cu 5 clusters as fluxional Jahn‐Teller molecules

Ab initio ro-vibronic spectroscopy of SiCCl (X̃2Π)

Ni/Mn order in LiMn2-xNixO4 (0.38 ≤ x ≤ 0.50) positive electrode material: a gradual temperature-driven sublattice disorder through antiphase boundary defects

A new general Renner-Teller (including epsilon greater than or similar to 1) spectroscopic formalism for triatomic molecules

Dynamic of a physisorbed H2 on a metallic surface

Atomic Data on Inelastic Processes in Calcium–Hydrogen Collisions

Towards an elastic model of wurtzite AlN model

Stability of the HgS molecule and spectroscopy of its low lying electronic states

Ab initio modelling of molecular hydrogen rotation in the outside of carbon nanotubes

Calculation of transition moments between internally contracted MRCI wave functions with non-orthogonal orbitals

Piezoelectric Properties of AlN, ZnO, and HgxZn1-xO Nanowires by First-Principles Calculations

Modelisation of the piezoelectric sensors: from atoms to continuous media, from theoretical chemistry to mechanics

Modélisation de capteurs piézoélectriques : des atomes au milieu continu, de la chimie théorique à la mécanique

Quantum motion of small molecular hydrogen clusters confined by carbon nanostructures

Electron correlation effects in diamond: A wave-function quantum-chemistry study of the quasiparticle band structure

Spectroscopy of physisorbed molecules

Structural and spectroscopic study of the linear proton-bound complex of PN with HNP+

Stability and Reversible Oxidation of Sub‐Nanometric Cu 5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling**

Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approaches

Model estimates of inelastic calcium-hydrogen collision data for non-LTE stellar atmospheres modeling

Modeling piezoelectric sensors: from atoms to continuous media, from theoretical chemistry to mechanics.

Ionicity : piezoelectric effect from diatomics to the ionic nanowires

A computational method for modelling size and surface effects in crystalline nanowires based on Finite Elements and Quantum mechanics

Simulation of of the Ã²Σ+–X̃²Π absorption and emission spectra of the SiCCl radical

Ab initio ro-vibronic spectroscopy of SiCCl (X̃²Π)