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Aurélien DE LA LANDE

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Groupe TheoSim
ContactTél. : +33 (0)1 69 15 73 98
Courriel : aurelien.de-la-lande@u-psud.fr
LocalisationBât 349
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Travaux et publications



Publications récentes
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)  
Ultrafast flavin photoreduction in an oxidized animal (6-4) photolyase through an unconventional tryptophan tetrad.
Martin, Ryan; Lacomba, Fabien; Espagne, Agathe; Dozov, Nadia; Plaza, Pascal; Yamamoto, Jumpei; Müller, Pavel; Brettel, Klaus; de la Lande, Aurélien
Phys. Chem. Chem. Phys. 19:24493−24504 (2017)