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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
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)  
Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI2.
Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory
Chem. Commun. 56:11875−11878 (2020)  
Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches.
Le Barbu-Debus, Katia; Bowles, Jessica; Jähnigen Sascha; Clavaguéra, Carine; Calvo, Florent; Vuilleumier, Rodolphe; Zehnacker, Anne
Phys. Chem. Chem. Phys. 22:26047−26068 (2020)