Xavier Assfeld

According to our database, Xavier Assfeld authored at least 9 papers between 1994 and 2019.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2019

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.

Syrine Daoudi, Abderrahmane Semmeq, Michael Badawi, Xavier Assfeld, Youssef Arfaoui, Mariachiara Pastore

J. Comput. Chem., 2019

2014

Toward the understanding of the environmental effects on core ionizations.

Adèle D. Laurent, Vitaly N. Glushkov, Thibaut Very, Xavier Assfeld

J. Comput. Chem., 2014

Multireference space without first solving the configuration interaction problem.

Vitaly N. Glushkov, Xavier Assfeld

J. Comput. Chem., 2014

2012

On orthogonality constrained multiple core-hole states and optimized effective potential method.

Vitaly N. Glushkov, Xavier Assfeld

J. Comput. Chem., 2012

2006

On the suitability of strictly localized orbitals for hybrid QM/MM calculations.

Arianna Fornili, Yohann Moreau, Maurizio Sironi, Xavier Assfeld

J. Comput. Chem., 2006

2002

Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method.

Nicolas Ferré, Xavier Assfeld, Jean-Louis Rivail

J. Comput. Chem., 2002

1999

Structure of isolated and solvated peroxyl radicals.

P. Aplincourt, Manuel F. Ruiz-López, Xavier Assfeld, F. Bohr

J. Comput. Chem., 1999

1994

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).

Xavier Assfeld

PhD thesis, 1994

Theoretical Analysis of the Role of the Solvent on the Reaction on the Reaction Mechanismus: One-Step versus Two-Step Ketene-Imine Cycloaddition.

Xavier Assfeld, Manuel F. Ruiz-López, J. Gonzalez, Ramón López, José A. Sordo, Tomás L. Sordo Gonzalo

J. Comput. Chem., 1994