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	Pour les 41 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 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

		Spin polarization as an electronic cooperative effect Nadia Ben Amor , Camille Noûs , Georges Trinquier , Jean-Paul Malrieu Journal of Chemical Physics, 2020, 153 (4), pp.044118. ⟨10.1063/5.0011582⟩ Article dans une revue hal-02958773v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice Eric Michoulier , Nadia Ben Amor , Mathias Rapacioli , Jennifer Anna Noble , Joëlle Mascetti , et al. Physical Chemistry Chemical Physics, 2018, 20, pp.11941-11953. ⟨10.1039/C8CP01175C⟩ Article dans une revue hal-01764650v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Model protein excited states Valérie Brenner , Thibaut Véry , Michael Schmidt , Mark Gordon , Sophie Hoyau , et al. Journal of Chemical Physics, 2021, 154 (21), pp.214105. ⟨10.1063/5.0048146⟩ Article dans une revue hal-03307376v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spherical aromaticity and electron delocalization in C8 and B4N4 cubic systems Buse Chaglayan , Ahmad W. Huran , Nadia Ben Amor , Véronique Brumas , Stefano Evangelisti , et al. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (1), pp.5. ⟨10.1007/s00214-018-2387-9⟩ Article dans une revue hal-01957267v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photodissociation dynamics of trimethyltin iodide Nadia Ben Amor , D. Ambrosek , C. Daniel , R. Marquardt Chemical Physics, 2007, 338 (2-3), pp.81-89. ⟨10.1016/j.chemphys.2007.05.029⟩ Article dans une revue istex hal-00968528v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection Tim Krah , Nadia Ben Amor , Vincent Robert Physical Chemistry Chemical Physics, 2014, 16 (20), pp.9509-9514. ⟨10.1039/C4CP00662C⟩ Article dans une revue hal-00995331v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic Spectroscopy of [FePAH]+ Complexes in the Region of the Diffuse Interstellar Bands: Multireference Wave Function Studies on [FeC6H6]+ Mathieu Lanza , Aude Simon , Nadia Ben Amor Journal of Physical Chemistry A, 2015, 119 (23), pp.6123-6130. ⟨10.1021/acs.jpca.5b00438⟩ Article dans une revue hal-01167959v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Restoring the size consistency of multireference configuration interactions through class dressings: Applications to ground and excited states Nadia Ben Amor , Daniel Maynau , Jean-Paul Malrieu , Antonio Monari Journal of Chemical Physics, 2008, 129, pp.064112. ⟨10.1063/1.2938371⟩ Article dans une revue hal-00951057v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Origin of ferromagnetism and magnetic anisotropy in a family of copper(II) triangles Logesh Mathivatanan , Guillaume Rogez , Nadia Ben Amor , Vincent Robert , Raphael G Raptis , et al. Chemistry - A European Journal, 2020, 26 (56), pp.12769-12784. ⟨10.1002/chem.202001028⟩ Article dans une revue hal-02866491v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spin-orbit ab initio investigation of the UV photoinduced bond cleavage in iodotrimethylstannane Nadia Ben Amor , C. Daniel Canadian Journal of Chemistry, 2009, 87 (7), pp.1006-1012. ⟨10.1139/V09-064⟩ Article dans une revue hal-00870378v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein. Thomas Bouabça , Nadia Ben Amor , Daniel Maynau , Michel Caffarel Journal of Chemical Physics, 2009, 130 (11), pp.114107/1-114107/8. ⟨10.1063/1.3086023⟩ Article dans une revue hal-00870357v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The effect of the basis-set superposition error on the calculation of dispersion interactions: A test study on the neon dimer Antonio Monari , Gian Luigi Bendazzoli , Stefano Evangelisti , Celestino Angeli , Nadia Ben Amor , et al. Journal of Chemical Theory and Computation, 2007, 3 (2), pp.477-485. ⟨10.1021/ct6003005⟩ Article dans une revue hal-00967899v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		X-ray crystallographic analysis of the antiferromagnetic low-temperature phase of galvinoxyl: investigating magnetic duality in organic radicals Rie Suizu , Yoshiaki Shuku , Vincent Robert , Pablo Roseiro , Nadia Ben Amor , et al. Dalton Transactions, 2024, 53 (3), pp.1961-1965. ⟨10.1039/D3DT03601d⟩ Article dans une revue hal-04426580v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ferromagnetic coupling induced by spin-orbit coupling in dipyridylamide linear trinuclear Cu-Pd-Cu and Cu-Pt-Cu complexes Daniel Maynau , Hélène Bolvin , Willem van den Heuvel , Marc Bénard , Marie-Madeleine Rohmerd , et al. Comptes Rendus. Chimie, 2012, 15 (2-3), pp.170-175. ⟨10.1016/j.crci.2011.10.004⟩ Article dans une revue hal-00868834v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ultrafast electronic relaxations from the S3 state of pyrene Jennifer A. Noble , Christian Aupetit , Dominique Descamps , Stephane Petit , Aude Simon , et al. Physical Chemistry Chemical Physics, 2019, 21 (26), pp.14111-14125. ⟨10.1039/C8CP06895J⟩ Article dans une revue hal-02073683v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The Electronic Structure of Beryllium Chains Ahmad W. Huran , Nadia Ben Amor , Stefano Evangelisti , Sophie Hoyau , Thierry Leininger , et al. Journal of Physical Chemistry A, 2018, 122 (24), pp.5321-5332. ⟨10.1021/acs.jpca.7b12187⟩ Article dans une revue hal-01874236v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		RASPT2 study of the valence excited states of an iron–porphyrin–carbonyl model complex Nadia Ben Amor , Marie-Catherine Heitz Journal of Computational Chemistry, 2019, 40 (17), pp.1614-1621. ⟨10.1002/jcc.25819⟩ Article dans une revue hal-02140286v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Magnetic Coupling Constants of Self-Assembled CuII [3×3] Grids: Alternative Spin Model from Theoretical Calculations Carmen J. Calzado , Nadia Ben Amor , Daniel Maynau Chemistry - A European Journal, 2014, 20 (29), pp.8979-8987. ⟨10.1002/chem.201402224⟩ Article dans une revue istex hal-01017732v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates Nicolas Suaud , Xavier López , Nadia Ben Amor , Nuno A. G. Bandeira , Coen de Graaf , et al. Journal of Chemical Theory and Computation, 2015, 11 (2), pp.550-559. ⟨10.1021/ct5010005⟩ Article dans une revue hal-01149508v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modifications of Tanabe-Sugano d⁶ Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular Complex Pablo Roseiro , Saad Yalouz , David J R Brook , Nadia Ben Amor , Vincent Robert Inorganic Chemistry, 2023, 62, pp.5737 - 5743. ⟨10.1021/acs.inorgchem.3c00275⟩ Article dans une revue hal-04237334v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Antiferromagnetic Behavior Based on Quasi-Orthogonal MOs: Synthesis and Characterization of a Cu3 Oxidase Model Boris Le Guennic , Sarah Petit , Guillaume Chastanet , Guillaume Pilet , Dominique Luneau , et al. Inorganic Chemistry, 2008, 47 (2), pp.572-577. ⟨10.1021/ic701758x⟩ Article dans une revue istex hal-00952593v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Inspection of the duality of a verdazyl-based radical in transition metal complexes: A pi* donor ligand and a magnetic partner Jean-Baptiste Rota , Lucie Norel , Cyrille Train , Nadia Ben Amor , Daniel Maynau , et al. Journal of the American Chemical Society, 2008, 130 (31), pp.10380-10385. ⟨10.1021/ja802027u⟩ Article dans une revue istex hal-00951648v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Direct selected multireference configuration interaction calculations for large systems using localized orbitals Nadia Ben Amor , Fabienne Bessac , Sophie Hoyau , Daniel Maynau Journal of Chemical Physics, 2011, 135 (1), pp.014101/1-014101/14. ⟨10.1063/1.3600351⟩ Article dans une revue hal-00870759v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Three isoelectronic families of X4 Y4 cubic systems Véronique Brumas , Stefano Evangelisti , Nadia Ben Amor Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2024, 143 (2), pp.19. ⟨10.1007/s00214-024-03091-3⟩ Article dans une revue hal-04502933v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex Nadia Ben Amor , Adrien Soupart , Marie-Catherine Heitz Journal of Molecular Modeling, 2017, 23 (2), pp.53. ⟨10.1007/s00894-017-3226-y⟩ Article dans une revue hal-01510461v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones Cristian Chang , Carmen J. Calzado , Nadia Ben Amor , Jose Sánchez-Marín , Daniel Maynau Journal of Chemical Physics, 2012, 137 (10), pp.104102/1-104102/12. ⟨10.1063/1.4747535⟩ Article dans une revue hal-00870783v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		In Search of Organic Compounds Presenting a Double Exchange Phenomenon Vijay Gopal Chilkuri , Georges Trinquier , Nadia Ben Amor , Jean-Paul Malrieu , Nathalie Guihéry Journal of Chemical Theory and Computation, 2013, 9 (11), pp.4805-4815. ⟨10.1021/ct4005855⟩ Article dans une revue hal-00937326v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A rational reduction of CI expansions: combining localized molecular orbitals and selected charge excitations Tim Krah , Nadia Ben Amor , Daniel Maynau , Arjan Berger , Vincent Robert Journal of Molecular Modeling, 2014, 20, pp.2240. ⟨10.1007/s00894-014-2240-6⟩ Article dans une revue hal-01009499v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods Nadia Ben Amor , Sophie Hoyau , Daniel Maynau , Valerie Brenner Journal of Chemical Physics, 2018, 148 (18), pp.184105. ⟨10.1063/1.5025942⟩ Article dans une revue hal-01802401v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photochemistry of Fe:H2O Adducts in Argon Matrixes: A Combined Experimental and Theoretical Study in the Mid-IR and UV–Visible Regions Vincent Deguin , Joëlle Mascetti , Aude Simon , Nadia Ben Amor , Christian Aupetit , et al. Journal of Physical Chemistry A, 2018, 122 (2), pp.529-542. ⟨10.1021/acs.jpca.7b09681⟩ Article dans une revue hal-01693373v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Spin polarization as an electronic cooperative effect

Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice

Model protein excited states

Spherical aromaticity and electron delocalization in C8 and B4N4 cubic systems

Photodissociation dynamics of trimethyltin iodide

Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection

Electronic Spectroscopy of [FePAH]+ Complexes in the Region of the Diffuse Interstellar Bands: Multireference Wave Function Studies on [FeC6H6]+

Restoring the size consistency of multireference configuration interactions through class dressings: Applications to ground and excited states

Origin of ferromagnetism and magnetic anisotropy in a family of copper(II) triangles

Spin-orbit ab initio investigation of the UV photoinduced bond cleavage in iodotrimethylstannane

A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein.

The effect of the basis-set superposition error on the calculation of dispersion interactions: A test study on the neon dimer

X-ray crystallographic analysis of the antiferromagnetic low-temperature phase of galvinoxyl: investigating magnetic duality in organic radicals

Ferromagnetic coupling induced by spin-orbit coupling in dipyridylamide linear trinuclear Cu-Pd-Cu and Cu-Pt-Cu complexes

Ultrafast electronic relaxations from the S3 state of pyrene

The Electronic Structure of Beryllium Chains

RASPT2 study of the valence excited states of an iron–porphyrin–carbonyl model complex

Magnetic Coupling Constants of Self-Assembled CuII [3×3] Grids: Alternative Spin Model from Theoretical Calculations

Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e-Reduced Lindqvist Polyoxometalates

Modifications of Tanabe-Sugano d6 Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular Complex

Antiferromagnetic Behavior Based on Quasi-Orthogonal MOs: Synthesis and Characterization of a Cu3 Oxidase Model

Inspection of the duality of a verdazyl-based radical in transition metal complexes: A pi* donor ligand and a magnetic partner

Direct selected multireference configuration interaction calculations for large systems using localized orbitals

Three isoelectronic families of X4 Y4 cubic systems

Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex

Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones

In Search of Organic Compounds Presenting a Double Exchange Phenomenon

A rational reduction of CI expansions: combining localized molecular orbitals and selected charge excitations

Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods

Photochemistry of Fe:H2O Adducts in Argon Matrixes: A Combined Experimental and Theoretical Study in the Mid-IR and UV–Visible Regions

Modifications of Tanabe-Sugano d⁶ Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular Complex