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hal-00872097v1  Journal articles
Christelle EscureThierry LeiningerBruno Lepetit. Ab initio study of methyl-bromide photodissociation in the A band.
Journal of Chemical Physics, American Institute of Physics, 2009, 130 (24), pp.244305/1-244305/10. ⟨10.1063/1.3154140⟩
hal-00872141v1  Journal articles
Antonio MonariStefano EvangelistiThierry 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⟩
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hal-01788389v1  Journal articles
Alejandro Diaz-MarquezStefano BattagliaGian Luigi BendazzoliStefano EvangelistiThierry 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-00872083v1  Journal articles
Christelle EscureThierry LeiningerBruno Lepetit. Ab initio study of valence and Rydberg states of CH3Br.
Journal of Chemical Physics, American Institute of Physics, 2009, 130 (24), pp.244306/1-244306/8. ⟨10.1063/1.3152865⟩
hal-01135943v1  Journal articles
Muammar El KhatibOriana BreaEdoardo FertittaGian Luigi BendazzoliStefano Evangelisti et al.  The total position-spread tensor: Spin partition
Journal of Chemical Physics, American Institute of Physics, 2015, 142 (9), pp.094113. ⟨10.1063/1.4913734⟩
hal-00872616v1  Journal articles
Marco VerdicchioStefano EvangelistiThierry LeiningerAntonio 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-00907791v1  Journal articles
Stefano EvangelistiNathalie GuihéryThierry LeiningerJean-Paul MalrieuDaniel Maynau et al.  Local orbitals for quasi-degenerate systems
Journal of Molecular Structure: THEOCHEM, Elsevier, 2004, 709, pp.1
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hal-02128292v1  Journal articles
Stefano BattagliaNoelia Faginas LagoThierry LeiningerStefano 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-00872622v1  Journal articles
Muammar El KhatibStefano EvangelistiThierry LeiningerGian Bendazzoli. A theoretical study of closed polyacene structures.
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (45), pp.15666-76. ⟨10.1039/c2cp42144e⟩
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hal-02155386v1  Journal articles
Emília de AragãoDiego MorenoStefano BattagliaGian Luigi BendazzoliStefano Evangelisti et al.  A simple position operator for periodic systems
Physical Review B : Condensed matter and materials physics, American Physical Society, 2019, 99 (20), pp.205144. ⟨10.1103/PhysRevB.99.205144⟩
hal-00952054v1  Journal articles
O. BennettA. DickinsonThierry LeiningerFlorent Gadéa. Erratum: Radiative association in Li+H revisited: the role of quasi-bound states
Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P - Oxford Open Option A, 2008, 384 (4), pp.1743-1744. ⟨10.1111/j.1365-2966.2008.12586.x⟩
hal-00957841v1  Conference papers
Wissam HelalStefano EvangelistiThierry LeiningerDaniel 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⟩
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hal-01876551v1  Book sections
Stefano BattagliaStefano EvangelistiThierry LeiningerNoelia 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-02395774v1  Journal articles
Alekos SegalinaAntonio Francés-MonerrisMariachiara PastoreThierry LeiningerStefano Evangelisti et al.  Conical intersection properties unraveled by the position spread tensor
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2018, 137 (12), pp.163. ⟨10.1007/s00214-018-2377-y⟩
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hal-00927103v1  Journal articles
Thierry LeiningerJulien Toulouse. Relever le défi de la résolution de l'équation de Schrödinger
L'Actualité Chimique, Société chimique de France, 2014, 382-383, pp.13-21
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