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Carine CLAVAGUERA

Chercheur
Groupe TheoSim
ContactTél. : +33 (0)1 69 15 44 42
Courriel : carine.clavaguera@u-psud.fr
LocalisationBât 349
Informations
complémentaires
Travaux et publications


Publications récentes
Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops.
Thaunay, Florian; Jana, Chandramohan; Clavaguéra, Carine; Ohanessian, Gilles
J. Phys. Chem. A 122:832–842 (2018)  
Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O2.
Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory
Dalton Trans. 47:9226−9230 (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)  
Divalent Thulium Triflate: A Structural and Spectroscopic Study.
Xémard, Mathieu; Jaoul, Arnaud; Cordier, Marie; Molton, Florian; Cador, Olivier; Le Guennic, Boris; Duboc, Carole; Maury, Olivier; Clavaguéra, Carine; Nocton, Grégory
Angew. Chem. Int. Ed. 56:4266–4271 (2017)  
On the accuracy of population analyses based on fitted densities.
de la Lande, Aurélien; Clavaguéra, Carine; Köster, Andreas M
J. Mol. Mod. 23:99−111 (2017)