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Le formalisme de Wigner – Weyl en mécanique quantique

Adina Ceausu-Velcescu , Paul Blaise , Yuri P. Kalmykov
Journées Dynamiques du Sud – Ouest, Jun 2015, Toulouse, France
Conference papers hal-01191417v1

Double hybrid density-functional theory using the coulomb-attenuating method

Yann Cornaton , Emmanuel Fromager
International Journal of Quantum Chemistry Symposium, 2014, 114 (18), pp.1199-1211. ⟨10.1002/qua.24682⟩
Journal articles hal-01370025v1

Complete analytic anharmonic hyper-Raman scattering spectra

Yann Cornaton , Magnus Ringholm , Kenneth Ruud
Physical Chemistry Chemical Physics, 2016, 18 (32), pp.22331-22342. ⟨10.1039/C6CP03463B⟩
Journal articles hal-01370029v1

Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?

Pierre Labeguerie , Corentin Boilleau , Roland Bastardis , Nicolas Suaud , Nathalie Guihéry , et al.
Journal of Chemical Physics, 2008, 129 (15), pp.154110. ⟨10.1063/1.2993263⟩
Journal articles hal-00907036v1
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A Noncovalent Interaction Insight onto the Concerted Metallation Deprotonation Mechanism

Yann Cornaton , Jean-Pierre Djukic
Physical Chemistry Chemical Physics, 2019, 21 (36), pp.20486-20498. ⟨10.1039/C9CP03650D⟩
Journal articles hal-03098110v1

Anharmonic effects in vibrational light-scattering phenomena

Yann Cornaton , Orian Louant , Magnus Ringholm , Kenneth Ruud
Norwegian Chemical Society's Annual Meeting in Quantum and Computational Chemistry, Jun 2015, Bergen, Norway
Conference papers hal-01371562v1

Analytic calculations of anharmonic infrared and Raman vibrational spectra

Yann Cornaton , Magnus Ringholm , Orian Louant , Kenneth Ruud
Physical Chemistry Chemical Physics, 2016, 18 (5), pp.4201-4215. ⟨10.1039/C5CP06657C⟩
Journal articles hal-01370026v1

Étude de clusters d'eau par dynamique directe Born-Oppenheimer

Yann Cornaton , Vladimir V Rybkin , Simen Reine , Kenneth Ruud
14emes Rencontres des Chimistes Théoriciens Francophones, Jun 2014, Paris, France
Conference papers hal-01371532v1

Analytical calculation of the influence of solvent effects on three-photon absorption cross-section

Yann Cornaton , Roberto Di Remigio , Maarten T.P. Beerepoot
CTCC annual meeting 2015, Apr 2015, Sundvolen, Norway
Conference papers hal-01371557v1

Anharmonic effects in vibrational light-scattering phenomena

Yann Cornaton , Orian Louant , Magnus Ringholm , Kenneth Ruud
24th Colloquium on High Resolution Molecular Spectroscopy, Aug 2015, Dijon, France
Conference papers hal-01371568v1

Comment les calculs ab initio peuvent-ils assister l’interprétation des données expérimentales en spectroscopie ?

Adina Ceausu-Velcescu , Paul Blaise
4èmes rencontres « Chimie Expérimentale – Chimie Théorique, Apr 2015, Toulouse, France
Conference papers hal-01191416v1

Anharmonic effects in vibrational light-scattering phenomena

Yann Cornaton , Orian Louant , Magnus Ringholm , Kenneth Ruud
8th International Conference in Advanced Vibrational Spectroscopy, Jul 2015, Vienne, Austria
Conference papers hal-01371565v1

Analytic calculation of anharmonic contributions to vibrational frequencies and IR/Raman intensities

Yann Cornaton , Orian Louant , Magnus Ringholm , Kenneth Ruud
50th syposium on Theoretical Chemistry, Sep 2014, Vienne Austria
Conference papers hal-01371538v1

A Global Analytical Representation of the Potential Energy Surface of the FHF Anion

Yann Cornaton , Roberto Marquardt
Journal of Physical Chemistry A, 2016, 120 (30), pp.5959-5968. ⟨10.1021/acs.jpca.6b05325⟩
Journal articles hal-01370631v1

Competition between double exchange and purely magnetic Heisenberg models in mixed valence systems: application to half-doped manganites.

Roland Bastardis , Nathalie Guihéry , Nicolas Suaud , Coen de Graaf
Journal of Chemical Physics, 2006, 125 (19), pp.194708. ⟨10.1063/1.2375119⟩
Journal articles hal-00907038v1