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Carine CLAVAGUERA

Responsable du groupe
Chercheur
Groupe TheoSim
ContactTél. : +33 (0)1 69 15 44 42
Courriel : carine.clavaguera@universite-paris-saclay.fr
LocalisationBât 349
Informations
complémentaires
Travaux et publications


Publications récentes
In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle.
Tandiana, Rika; Sicard-Roselli, Cécile; Van-Oanh, Nguyen-Thi; Steinmann, Stephan; Clavaguera, Carine
Phys. Chem. Chem. Phys. 24:25327 (2022)  
Consistent Picture of Phosphate−Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization.
Puyo-Fourtine, Julie; Juillé, Marie; Hénin, Jérome; Clavaguera, Carine; Duboué-Dijon, Elise
J. Phys. Chem. B 126:4022–4034 (2022)  
Bis‐Cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single‐Molecule Magnets.
Moutet, Jules; Schleinitz, Jules; La Droitte, Léo; Tricoire, Maxime; Pointillard, Fabrice; Gendron, Frédéric; Simler, Thomas; Clavaguéra, Carine; Le Guennic, Boris; Cador, Olivier; Nocton, Grégory
Angew. Chem. Int. Ed. 60:6042−6046 (2021)  
Probing the structural properties of the water solvation shell around gold nanoparticles: a computational study.
Tandiana, Rika; Brun, Emilie; Sicard-Roselli, Cécile; Domin, Dominik; Van-Oanh, Nguyen-Thi; Clavaguéra, Carine
J. Chem. Phys. 154:044706 (2021)  
Interaction between organic molecules and a gold nanoparticle: a quantum chemical topological analysis.
Tandiana, Rika; Van-Oanh, Nguyen-Thi; Clavaguéra, Carine
Theor. Chem. Acc. 140:118 (2021)