Laboratoire de Chimie Physique

Nos tutelles

	David LAUVERGNAT Animateur du groupe Chercheur Groupe TheoSim
Contact	Tél. : +33 (0)1 69 15 44 44 Fax : +33 (0)1 69 15 44 47 Courriel : david.lauvergnat@u-psud.fr
Localisation	Bât 349
Informations complémentaires	Page Personnelle Travaux et publications

Publications récentes
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)
Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: First-Principles Quantum Dynamical Study. Binder, Robert; Lauvergnat, David: Burghardt, Irene Phys. Rev. Lett. 120:227401 (2018)
Numerical on-the-fly implementation of the action of the kinetic energy operator on a vibrational wave function: application to methanol. Nauts, André; Lauvergnat, David Mol. Phys. 116:3701−3709 (2018)