Laboratoire de Chimie Physique

Nos tutelles

	Carine CLAVAGUERA Chercheur Groupe TheoSim
Contact	Tél. : +33 (0)1 69 15 44 42 Courriel : carine.clavaguera@u-psud.fr
Localisation	Bât 349
Informations complémentaires	Travaux et publications

Publications récentes
Vibrational spectroscopy of deprotonated peptides containing an acidic side chain. Nicol, Edith; Clavaguéra, Carine; Ohanessian, Gilles Int. J. Mass Spectrom. 435:42−50 (2019)
Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence Bond Modeling. Thaunay, Florian; Calvo, Florent; Nicol, Edith; Ohanessian, Gilles; Clavaguéra, Carine ChemPhysChem -:souspresse (2019)
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)