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Xavier Assfeld
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2010 – 2019
- 2019
- [j8]Syrine Daoudi, Abderrahmane Semmeq
, Michael Badawi
Electronic structure and optical properties of isolated and TiO2-grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD-DFT. J. Comput. Chem. 40(29): 2530-2538 (2019) - 2014
- [j7]Vitaly N. Glushkov, Xavier Assfeld
Multireference space without first solving the configuration interaction problem. J. Comput. Chem. 35(4): 313-323 (2014) - [j6]Adèle D. Laurent
Toward the understanding of the environmental effects on core ionizations. J. Comput. Chem. 35(15): 1131-1139 (2014) - 2012
- [j5]Vitaly N. Glushkov, Xavier Assfeld
On orthogonality constrained multiple core-hole states and optimized effective potential method. J. Comput. Chem. 33(26): 2058-2066 (2012)
2000 – 2009
- 2006
- [j4]Arianna Fornili, Yohann Moreau
On the suitability of strictly localized orbitals for hybrid QM/MM calculations. J. Comput. Chem. 27(4): 515-523 (2006) - 2002
- [j3]Nicolas Ferré
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method. J. Comput. Chem. 23(6): 610-624 (2002)
1990 – 1999
- 1999
- [j2]P. Aplincourt, Manuel F. Ruiz-López, Xavier Assfeld, F. Bohr:
Structure of isolated and solvated peroxyl radicals. J. Comput. Chem. 20(10): 1039-1048 (1999) - 1994
- [b1]Xavier Assfeld:
Etude théorique de réactions chimiques en phase liquide à l'aide du modèle du champ de réaction auto-cohérent. (Theoretical study of chemical reactions in solution by mean of the self-consistent reaction field approach). Henri Poincaré University, Nancy, France, 1994 - [j1]Xavier Assfeld
Theoretical Analysis of the Role of the Solvent on the Reaction on the Reaction Mechanismus: One-Step versus Two-Step Ketene-Imine Cycloaddition. J. Comput. Chem. 15(5): 479-487 (1994)
Coauthor Index
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