Xavier Assfeld, Ph.D.
Affiliations: | University of Nancy (France) |
Area:
Theoretical ChemistryWebsite:
http://www.srsmc.uhp-nancy.fr/spip/spip.php%3Farticle104.htmlGoogle:
"Xavier Assfeld"Mean distance: 9.37 | S | N | B | C | P |
Parents
Sign in to add mentorManuel Ruiz-Lopez | grad student | 1995 | University of Nancy (France) |
Donald G. Truhlar | post-doc | 1996 | UMN |
Children
Sign in to add traineeNicolas Ferré | grad student | 2001 | Nancy 1 |
Yohann Moreau | grad student | 2005 | Nancy 1 |
Pierre-François Loos | grad student | 2008 | Nancy 1 |
Adèle Laurent | grad student | 2010 | Nancy 1 |
Thibaut Véry | grad student | 2012 | Université de Lorraine |
Thibaud Etienne | grad student | 2015 | Université de Lorraine |
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Publications
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Cebrían C, Pastore M, Monari A, et al. (2022) Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar Energy Conversion: Current Status and Open Questions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
Burganov T, Katsyuba S, Monari A, et al. (2021) Stimuli-responsive emission of quinoxalinone-based compounds. From experimental findings to theoretical insight by means of multiscale computational spectroscopy approaches Dyes and Pigments. 184: 108797 |
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 |
Macetti G, Wieduwilt EK, Assfeld X, et al. (2020) Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods. Journal of Chemical Theory and Computation |
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 |
Magra K, Darari M, Domenichini E, et al. (2020) Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands Journal of Physical Chemistry C. 124: 18379-18389 |
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) |
Glushkov VN, Assfeld X. (2019) On the orthogonality of states with approximate wavefunctions. Journal of Molecular Modeling. 25: 148 |