Recherche
Résultats 21-30 de 216
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New developments in the sum-of-products representation of the potential energy surface in quantum dynamical problems
Dynamics of Energy Transfer on the Nanoscale, Berlin, 25-09-2017, 25-09-2017 -
Electronic excitation spectra : insight from ab initio calculations
Molecular Physics Workshop & PIMMS Workshop, Caen, 07-07-2015, 07-07-2015 -
Photo désorption à la surface de glaces froides
Workshop « Processus physico-chimiques d'intérêt astrophysique », St Florent, 12-06-2017, 12-06-2017 -
Calculation of nuclear magnetic resonance shielding tensor using frozen density embedding in the relativistic framework
16th International Conference on Density Functional Theory and its Applications, Debrecen, 31-08-2015, 31-08-2015Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Experimental and quantum chemical studies of alkali-ion promoted formation of uranyl(VI) peroxide rings and a comparison with similar reactions in 12-crown-4 and 15-crown-5 systems
249th ACS National Meeting, Denver, 13-03-2015, 13-03-2015 -
Coherent beam combining in Er3+-doped multicore fiber with 1480nm core pumping (orale)
Conference on Lasers and Electro-Optics (CLEO), San Jose, 05-06-2016, 2016 -
Electronic structure investigation of the evanescent AtO<sup>+</sup> ion
7th Molecular Quantum Mechanics, Lugano, 02-06-2013, 02-06-2013Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulations
257th American Chemical Society National Meeting, Orlando, 31-01-2019, 31-03-2019 -
Combining quantum chemistry with classical molecular dynamics for the theoretical study of radical reactivity at the surface of organic aerosols
256th ACS National Meeting, Boston, 19-08-2018, 19-08-2018 -
New developments in the representation of Potential Energy Surfaces: The Singular-Value Decomposition Multigrid POTFIT (SVD-MGPF) algorithm
CECAM workshop: Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes, Toulouse, 26-06-2017, 26-06-2017