Skip to Main content Skip to Navigation

Search by documents

hal-03127909v1  Journal articles
Linjie ZhengSébastien ZamithMathias Rapacioli. Dynamical simulation of collision-induced dissociation of pyrene dimer cation
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2021, 140 (2), ⟨10.1007/s00214-020-02716-7⟩
hal-02375800v1  Journal articles
Sébastien ZamithMingchao JiJean-Marc l'HermiteChristine JoblinLéo Dontot et al.  Thermal evaporation of pyrene clusters
Journal of Chemical Physics, American Institute of Physics, 2019, 151 (19), pp.194303. ⟨10.1063/1.5100264⟩
hal-02915964v1  Journal articles
Sébastien ZamithJean-Marc l'HermiteLéo DontotLinjie ZhengMathias Rapacioli et al.  Threshold collision induced dissociation of pyrene cluster cations
Journal of Chemical Physics, American Institute of Physics, 2020, 153 (5), pp.054311. ⟨10.1063/5.0015385⟩
hal-00760654v1  Journal articles
Libor VeisJakub ViŝňákTimo FleigStefan KnechtTrond Saue et al.  Relativistic quantum chemistry on quantum computers
Physical Review A, American Physical Society, 2012, 85, pp.030304. ⟨10.1103/PhysRevA.85.030304⟩
hal-00550057v1  Book sections
Julien ToulouseMichel CaffarelPeter ReinhardtPhilip HogganC. J. Umrigar. Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet n to pi* (CO) transition in acrolein
P. E. Hoggan, J. Maruani, P. Piecuch, G. Delgado-Barrio and E. J. Brandas. Advances in the Theory of Quantum Systems in Chemistry and Physics, Springer, pp.343-351, 2011, Progress in Theoretical Chemistry and Physics, Vol. 22, ⟨10.1007/978-94-007-2076-3⟩
hal-02899709v1  Journal articles
Hanen SouissiLeila MejrissiHéla HabliMaarib AlsahhafBrahim Oujia et al.  Ab initio diabatic and adiabatic calculations for francium hydride FrH
New Journal of Chemistry, Royal Society of Chemistry, 2020, 44 (14), pp.5572-5587. ⟨10.1039/C9NJ06391A⟩