Xavier Assfeld, Ph.D.

University of Nancy (France) 
Theoretical Chemistry
"Xavier Assfeld"
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Francés-Monerris A, Magra K, Darari M, et al. (2018) Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac/ mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces. Inorganic Chemistry
Marazzi M, Gattuso H, Monari A, et al. (2018) Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules. Frontiers in Chemistry. 6: 86
Segarra-Martí J, Zvereva EE, Marazzi M, et al. (2018) Resolving the singlet excited states manifold of benzophenone by first-principles simulations and ultrafast spectroscopy. Journal of Chemical Theory and Computation
Zvereva E, Segarra-Martí J, Marazzi M, et al. (2018) The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology
Pastore M, Assfeld X, Mosconi E, et al. (2017) Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory. The Journal of Chemical Physics. 147: 024108
Loos PF, Rivail JL, Assfeld X. (2017) Iterative stochastic subspace self-consistent field method. Journal of Molecular Modeling. 23: 173
Pastore M, Duchanois T, Liu L, et al. (2016) Interfacial charge separation and photovoltaic efficiency in Fe(ii)-carbene sensitized solar cells. Physical Chemistry Chemical Physics : Pccp
Liu L, Duchanois T, Etienne T, et al. (2016) A new record excited state (3)MLCT lifetime for metalorganic iron(ii) complexes. Physical Chemistry Chemical Physics : Pccp
Gattuso H, Spinello A, Terenzi A, et al. (2016) Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy to Unravel Complex Structures. The Journal of Physical Chemistry. B
Glushkov VN, Assfeld X. (2016) Orthogonality-constrained Hartree–Fock and perturbation theory for high-spin open-shell excited states Theoretical Chemistry Accounts. 135: 1-9
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