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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
		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
		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
		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
		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
		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
		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
		Accurate ab initio ro-vibronic spectroscopy of the X2Π CCN radical using explicitly correlated methods J. G. Hill , Alexander Mitrushchenkov , K. E. Yousaf , K. A. Peterson Journal of Chemical Physics, 2011, 135 (14), pp.144309. ⟨10.1063/1.3647311⟩ Article dans une revue hal-00769195v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		SPECTROSCOPY OF HYDROGEN MOLECULE ADSORBED ON GRAPHENE AND METALLIC SURFACES Alexander Mitrushchenkov , María Pilar Delara Castells , Gilberte Chambaud , Marie Guitou , Eddy Bernard COST MOLIM WG3 MEETING , Mar 2016, Bratislava, Slovakia Communication dans un congrès hal-01700937v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio ro-vibrational spectroscopy of the group 11 cyanides: CuCN, AgCN, and AuCN J. G. Hill , Alexander Mitrushchenkov , K. A. Peterson Journal of Chemical Physics, 2013, 138 (13), pp.134314. ⟨10.1063/1.4798638⟩ Article dans une revue hal-00808497v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A multiscale procedure combining finite element and ab initio calculations to model size-dependent mechanical properties of nanowires Julien Yvonnet , Alexander Mitrushchenkov , Qi-Chang He , Gilberte Chambaud Sixth MIT conference on Computational Fluid and Solid Mechanics, 2011, Cambridge, United States. pp.1 Communication dans un congrès hal-00711537v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study M. P. de Lara Castells , Alexander Mitrushchenkov Journal of Physical Chemistry C, 2011, 115 (35), pp.17540-17557. ⟨10.1021/jp203654m⟩ Article dans une revue hal-00692805v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum chemistry using the density matrix renormalization group Alexander Mitrushchenkov , G. Fano , F. Ortolani , Roberto Linguerri , P. Palmieri Journal of Chemical Physics, 2001, 115 (15), pp.6815 Article dans une revue hal-00770619v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Alternation of the spin-orbit coupling in the 2 ground state of HCnS (n=1-12) radicals Alexander Mitrushchenkov , Roberto Linguerri , P. Rosmus , J. P. Maier Molecular Physics, 2009, 107 (15), pp.1549-1553. ⟨10.1080/00268970902973842⟩ Article dans une revue hal-00712847v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Helium Droplet-Mediated Deposition and Aggregation of Nanoscale Silver Clusters on Carbon Surfaces Ricardo Fernández-Perea , Luis Gómez , Carlos Cabrillo , Marti Pi , Alexander Mitrushchenkov , et al. Journal of Physical Chemistry C, 2017, 121 (40), pp.22248 - 22257. ⟨10.1021/acs.jpcc.7b08109⟩ Article dans une revue hal-01693358v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spectroscopy of a rotating hydrogen molecule in carbon nanotubes María Pilar de Lara-Castells , Alexander Mitrushchenkov Physical Chemistry Chemical Physics, 2019, 21, pp.3423-3430. ⟨10.1039/C8CP04109A⟩ Article dans une revue hal-01863171v1	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
		Physisorbed H2atCu(100) surface : potential and spectroscopy E. Bernard , C. Houriez , A. Mitrushchenkov , Marie Guitou , Gilberte Chambaud Journal of Chemical Physics, 2015, 142, pp.54703. ⟨10.1063/1.4907013⟩ Article dans une revue hal-01138965v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An optimized full-configuration-interaction nuclear orbital approach to a "hard-core" interaction problem: Application to 3He(N)-Cl2(B) clusters (N<=4) M. P. de Lara Castells , P. Villarreal , G. Delgado-Barrio , Alexander Mitrushchenkov Journal of Chemical Physics, 2009, 131 (19), pp.194101. ⟨10.1063/1.3263016⟩ Article dans une revue hal-00769194v1	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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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

Atomic Data on Inelastic Processes in Calcium–Hydrogen Collisions

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

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

Ab initio ro-vibronic spectroscopy of SiCCl (X̃2Π)

Towards an elastic model of wurtzite AlN model

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

Accurate ab initio ro-vibronic spectroscopy of the X2Π CCN radical using explicitly correlated methods

SPECTROSCOPY OF HYDROGEN MOLECULE ADSORBED ON GRAPHENE AND METALLIC SURFACES

Ab initio ro-vibrational spectroscopy of the group 11 cyanides: CuCN, AgCN, and AuCN

A multiscale procedure combining finite element and ab initio calculations to model size-dependent mechanical properties of nanowires

A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study

Quantum chemistry using the density matrix renormalization group

Alternation of the spin-orbit coupling in the 2 ground state of HCnS (n=1-12) radicals

Helium Droplet-Mediated Deposition and Aggregation of Nanoscale Silver Clusters on Carbon Surfaces

Spectroscopy of a rotating hydrogen molecule in carbon nanotubes

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

Physisorbed H2atCu(100) surface : potential and spectroscopy

An optimized full-configuration-interaction nuclear orbital approach to a "hard-core" interaction problem: Application to 3He(N)-Cl2(B) clusters (N<=4)

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

Ab initio ro-vibronic spectroscopy of SiCCl (X̃²Π)