Institut de Chimie Physique

Nos tutelles

	Aurélien DE LA LANDE Chercheur Groupe TheoSim
Contact	Tél. : +33 (0)1 69 15 73 98 Courriel : aurelien.de-la-lande@universite-paris-saclay.fr
Localisation	Bât 349
Informations complémentaires	Page Personnelle Travaux et publications

Publications récentes
First-Principles Simulations of Biological Molecules Subjected to Ionizing Radiation. Omar K. ; Hasnaoui K. ; de la Lande A. Annu. Rev. Phys. Chem. 72:445−465 (2021)
Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics. Parise, Angela; Alvarez Ibarra, Aurelio; Wu, Xiaojing; Pilmé, Julien; de la Lande, Aurélien J. Phys. Chem. Lett. 9:855−850 (2018)
The surprisingly high ligation energy of CO to Ruthenium porphyrins. Shafizadeh, Niloufar; Boyé-Peronne, Séverine; Soorkia, Satchin; Chen, Shufeng; de la Lande, Aurélien; Cunha de Miranda, Barbara; Garcia Gustavo; Nahon, Laurent; Poisson, Lionnel; Soep, Benoit Phys. Chem. Chem. Phys. ASAP:... (2018)
Multidimensional quantum mechanical modeling of electron transfer and electronic coherence in Cytochromes: The role of initial bath conditions . Mendive-Tapia, D; Mangaud, E; Firmino, T; de la Lande, A; Desouter-Lecomte, M; Meyer, H-D; Gatti, F J. Phys. Chem. B 122:126 (2018)
AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Wu, Xiaojing; Clavaguéra, Carine; Lagardère, Louis; Piquemal, Jean-Philip; de la Lande, Aurélien J. Chem. Theory Comput. 14:2705−2720 (2018)