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Xavier Assfeld, Ph.D.

University of Nancy (France) 
Theoretical Chemistry
"Xavier Assfeld"
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Jaiswal VK, Segarra-Martí J, Marazzi M, et al. (2020) First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases. Physical Chemistry Chemical Physics : Pccp
Burganov TI, Katsyuba SA, Islamova LN, et al. (2020) Characterization of Conjugation Effects in the Series of Quinoxaline-2-ones by Means of Vibrational Raman Spectroscopy. The Journal of Physical Chemistry. A
Daoudi S, Semmeq A, Badawi M, et al. (2019) Electronic structure and optical properties of isolated and TiO -grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD-DFT. Journal of Computational Chemistry
Burganov TI, Monari A, Katsyuba SA, et al. (2019) 2,3-(Dibenzimidazol-2-Yl)Quinoxalines: Unexpected Dynamical Effect on Steady-State Electronic Absorption Spectra. The Journal of Physical Chemistry. B
Darari M, Domenichini E, Francés-Monerris A, et al. (2019) Iron(ii) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties. Dalton Transactions (Cambridge, England : 2003)
Magra K, Domenichini E, Francés-Monerris A, et al. (2019) Impact of the fac/ mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes. Inorganic Chemistry
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
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