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David LAUVERGNAT

Animateur du groupe
Chercheur
Groupe TheoSim
ContactTél. : +33 (0)1 69 15 44 44
Fax : +33 (0)1 69 15 44 47
Courriel : david.lauvergnat@u-psud.fr
LocalisationBât 349
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Travaux et publications



Publications récentes
A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran.
Gonon, Benjalin; Lasorne, Benjamin; Karras, Gabriel; Joubert-Doriol, loïc; Lauvergnat, David; Billard, Franck; Lavorel, Bruno;Faucher, Olivier; Olivier, Stéphane; Hertz, Edouard; Gatti, Fabien
J. Chem. Phys. 150:124109 (2019)  
H2, HD, and D2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.
Lauvergnat, David; Felker, Peter; Scribano, Yohann; Benoit, David, M.; Bačić, Zlatko
J. Chem. Phys. 150:154303 (2019)  
The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.
Powers, Anna; Scribano, Yohann; Lauvergnat, David; Benoit, David; Mebe, Elsy; Bačić, Zlatko
J. Chem. Phys. 148:144304 (2018)  
Ultrafast internal conversion in 4-aminobenzonitrile occurs sequentially along the seam.
Castro, Pedro J.; Perveaux, Aurelie; Lauvergnat, David; Reguero, Mar; Lasorne, Benjamin
Chem. Phys. 509:30−36 (2018)  
Does cage quantum delocalisation influence the translation–rotational bound states of molecular hydrogen in clathrate hydrate?.
Benoit, David M. ; Lauvergnat, David ; Scribano, Yohann
Faraday Discuss. 212:533−546 (2018)