Search - Université Toulouse III

	1 2 3 Suivant Dernière	Relevance Author A→Z Author Z→A Title A→Z Title Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante 30 results per page 50 results per page 100 results per page Merci d'indiquer la raison de votre demande o Export XML-TEI BibTeX EndNote CSV PDF RTF Advanced export... Syndicated feeds RSS ATOM
	hal-00871241v1 Journal articles Wissam Helal, Stefano Evangelisti, Thierry Leininger, Daniel Maynau. Ab-initio multireference study of an organic mixed-valence Spiro molecular system. Journal of Computational Chemistry, Wiley, 2009, 30 (1), pp.83-92. ⟨10.1002/jcc.20982⟩
	hal-00873642v1 Journal articles Carmen Calzado, Antonio Monari, Stefano Evangelisti. Heisenberg behavior of some carbon-beryllium compounds: How well truncated-CI approaches work Journal of Computational Chemistry, Wiley, 2011, 32 (2), pp.315-324. ⟨10.1002/jcc.21623⟩
	hal-01788389v1 Journal articles Alejandro Diaz-Marquez, Stefano Battaglia, Gian Luigi Bendazzoli, Stefano Evangelisti, Thierry Leininger et al. Signatures of Wigner localization in one-dimensional systems Journal of Chemical Physics, American Institute of Physics, 2018, 148 (12), pp.124103. ⟨10.1063/1.5017118⟩
	hal-00872616v1 Journal articles Marco Verdicchio, Stefano Evangelisti, Thierry Leininger, Antonio Monari. On the triplet ground state of tetrahedral X4 clusters (X = Li, Na, K, Cu). Journal of Chemical Physics, American Institute of Physics, 2012, 136 (9), pp.094301-094307. ⟨10.1063/1.3687907⟩
	hal-02318944v1 Journal articles Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Fernando Pirani, Noelia Faginas Lago. A Novel Intermolecular Potential to Describe the Interaction Between the Azide Anion and Carbon Nanotubes Diamond and Related Materials, Elsevier, 2020, 101, pp.107533. ⟨10.1016/j.diamond.2019.107533⟩
	hal-00872141v1 Journal articles Antonio Monari, Stefano Evangelisti, Thierry Leininger. Charge transfer and mixed-valence behavior in phtalocyanine-dimer cations. Journal of Chemical Physics, American Institute of Physics, 2010, 133 (12), pp.124301/1-124301/8. ⟨10.1063/1.3491027⟩
	hal-00873132v1 Journal articles Elisa Ercolessi, Stefano Evangelisti, Francesco Ravanini. Exact entanglement entropy of the XYZ model and its sine-Gordon limit Physics Letters A, Elsevier, 2010, 374 (21), pp.2101-2105. ⟨10.1016/j.physleta.2010.03.014⟩
	hal-01657201v1 Journal articles Stefano Battaglia, Stefano Evangelisti, Noelia Faginas Lago, Thierry Leininger. N−3 azide anion confined inside finite-size carbon nanotubes Journal of Molecular Modeling, Springer Verlag (Germany), 2017, 23 (10), pp.294. ⟨10.1007/s00894-017-3468-8⟩
	hal-00874134v1 Journal articles Antonio Lagana, Elda Rossi, Stefano Evangelisti. Cooperative modelling and design on the computing grid: data, flux and knowledge interoperability Journal of Molecular Modeling, Springer Verlag (Germany), 2013, 19 (10), pp.215-4222. ⟨10.1007/s00894-013-1844-6⟩
	hal-01858536v1 Journal articles Léa Brooke, Alejandro Diaz-Marquez, Stefano Evangelisti, Thierry Leininger, Pierre-Francois Loos et al. Distributed Gaussian orbitals for the description of electrons in an external potential Journal of Molecular Modeling, Springer Verlag (Germany), 2018, 24 (8), pp.216. ⟨10.1007/s00894-018-3749-x⟩
	hal-00907802v1 Journal articles Benoît Corretja, Stefano Evangelisti, Nicolas Suaud. A theoretical study of saturated sp3 nitrogen rings Journal of Molecular Structure: THEOCHEM, Elsevier, 2008, 863 (1-3), pp.9-15. ⟨10.1016/j.theochem.2008.05.005⟩
	hal-00907791v1 Journal articles Stefano Evangelisti, Nathalie Guihéry, Thierry Leininger, Jean-Paul Malrieu, Daniel Maynau et al. Local orbitals for quasi-degenerate systems Journal of Molecular Structure: THEOCHEM, Elsevier, 2004, 709, pp.1
	hal-01527499v1 Journal articles Stefano Battaglia, Noelia Faginas Lago, Dirk Andrae, Stefano Evangelisti, Thierry Leininger. Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory Journal of Physical Chemistry A, American Chemical Society, 2017, 121 (19), pp.3746-3756. ⟨10.1021/acs.jpca.7b00123⟩
	hal-00003457v1 Journal articles Stefano Evangelisti, J.-M. Junquera-Hernandez, J. Sanchez-Marin, G.L. Bendazzoli. Full-Configuration-Interaction Calculation on Be_3 Journal of Physical Chemistry A, American Chemical Society, 2004, 120, pp.8405
	hal-01874236v1 Journal articles Ahmad Huran, Nadia Ben Amor, Stefano Evangelisti, Sophie Hoyau, Thierry Leininger et al. The Electronic Structure of Beryllium Chains Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (24), pp.5321-5332. ⟨10.1021/acs.jpca.7b12187⟩
	hal-01876551v1 Book sections Stefano Battaglia, Stefano Evangelisti, Thierry Leininger, Noelia Faginas Lago. Confinement of the Pentanitrogen Cation Inside Carbon Nanotubes Osvaldo Gervasi, Beniamino Murgante, Sanjay Misra, Elena Stankova, Carmelo M. Torre, Ana Maria A.C. Rocha, David Taniar, Bernady O. Apduhan, Eufemia Tarantino, Yeonseung Ryu. Computational Science and Its Applications – ICCSA 2018., 10964, Springer, pp.579-592, 2018, Lecture Notes in Computer Science, 978-3-319-95173-7. ⟨10.1007/978-3-319-95174-4_45⟩
	hal-02155386v1 Journal articles Emília de Aragão, Diego Moreno, Stefano Battaglia, Gian Luigi Bendazzoli, Stefano Evangelisti et al. A simple position operator for periodic systems Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2019, 99 (20), pp.205144. ⟨10.1103/PhysRevB.99.205144⟩
	hal-00907098v1 Journal articles Nicolas Suaud, Gustavo Pastor, Stefano Evangelisti, Daniel Maynau. Electronic description using both localized and delocalized orbitals: application to a transition metal system Chemical Physics Letters, Elsevier, 2003, 378, pp.503-508. ⟨10.1016/J.CPLETT.2003.07.011⟩
	hal-00920824v1 Journal articles Carmen J Calzado, Stefano Evangelisti. Exchange interactions in [2 × 2] Cu(II) grids: on the reliability of the fitting spin models Journal- Chemical Society Dalton Transactions, Royal Society of Chemistry, 2014, 43 (7), pp.2988-2996. ⟨10.1039/C3DT53168F⟩
	hal-00957841v1 Conference papers Wissam Helal, Stefano Evangelisti, Thierry Leininger, Daniel Maynau. Localized Multi‐Reference Approach for Mixed‐Valence Systems International Conference on Numerical Analysis and Applied Mathematics, May 2007, Corfu, Greece. pp.3-6, ⟨10.1063/1.2997308⟩
	hal-02128292v1 Journal articles Stefano Battaglia, Noelia Faginas Lago, Thierry Leininger, Stefano Evangelisti. Tuning the magnetic properties of beryllium chains Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21, pp.6080-6086. ⟨10.1039/C8CP07159D⟩
	hal-01957267v1 Journal articles Buse Chaglayan, Ahmad Huran, Nadia Ben Amor, Véronique Brumas, Stefano Evangelisti et al. Spherical aromaticity and electron delocalization in C8 and B4N4 cubic systems Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2019, 138 (1), pp.5. ⟨10.1007/s00214-018-2387-9⟩
	hal-00952600v1 Journal articles Sophie Hoyau, Nadia Ben Amor, S. Borini, Stefano Evangelisti, Daniel Maynau. Acetone-water complexes at MRCI level using localized orbitals: n → π∗ and π → π∗ electronic transitions Chemical Physics Letters, Elsevier, 2008, 451 (1-3), pp.141-146. ⟨10.1016/j.cplett.2007.11.073⟩
	hal-00875603v1 Journal articles Valentina Vetere, Antonio Monari, Anthony Scemama, Gian Luigi Bendazzoli, Stefano Evangelisti. A theoretical study of linear beryllium chains: full configuration interaction. Journal of Chemical Physics, American Institute of Physics, 2009, 130 (2), pp.024301. ⟨10.1063/1.3054709⟩
	hal-02156091v1 Journal articles Stefano Battaglia, David Bouet, Alexis Lecoq, Stefano Evangelisti, Noelia Faginas Lago et al. Distributed Gaussian orbitals for molecular calculations: application to simple systems Molecular Physics, Taylor & Francis, 2019, pp.13 P. ⟨10.1080/00268976.2019.1615646⟩
	hal-01071999v1 Journal articles Muammar El Khatib, Gian Luigi Bendazzoli, Stefano Evangelisti, Wissam Helal, Thierry Leininger et al. Beryllium Dimer: A Bond Based on Non-Dynamical Correlation Journal of Physical Chemistry A, American Chemical Society, 2014, 118 (33), pp.6664-6673. ⟨10.1021/jp503145u⟩
	hal-02958627v1 Journal articles Nicolas Tavernier, Gian Luigi Bendazzoli, Véronique Brumas, Stefano Evangelisti, Arjan Berger. Clifford Boundary Conditions: A Simple Direct-Sum Evaluation of Madelung Constants Journal of Physical Chemistry Letters, American Chemical Society, 2020, 11 (17), pp.7090-7095. ⟨10.1021/acs.jpclett.0c01684⟩
	hal-00873597v1 Journal articles Stefano Evangelisti, Gian Luigi Bendazzoli, Antonio Monari. Electron localizability and polarizability in tight-binding graphene nanostructures Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2010, 126 (3-4), pp.257-263. ⟨10.1007/s00214-009-0700-3⟩
	hal-00957530v1 Journal articles Antonio Monari, Gian Luigi Bendazzoli, Stefano Evangelisti. The metal-insulator transition in dimerized Hückel chains Journal of Chemical Physics, American Institute of Physics, 2008, 129 (13), pp.134104. ⟨10.1063/1.2987702⟩
	hal-00873084v1 Journal articles Gian Luigi Bendazzoli, Antonio Monari, Stefano Evangelisti. A numerical method for computing dispersion constants Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2009, 123 (3-4), pp.265-272. ⟨10.1007/s00214-009-0520-5⟩
	1 2 3 Suivant Dernière	Relevance Author A→Z Author Z→A Title A→Z Title Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante 30 results per page 50 results per page 100 results per page o Export XML-TEI BibTeX EndNote CSV PDF RTF Advanced export... Syndicated feeds RSS ATOM

Document types Minimize

Author Minimize

Subject field Minimize

Laboratory Minimize

Language Minimize

Type of deposit Minimize

Year Minimize

CONTACT