Adèle Laurent
Affiliations: | 2007-2010 | Université de Lorraine (Nancy, France) | |
| 2011-2012 | Chemistry | University of Southern California, Los Angeles, CA, United States | |
| 2012- | University of Nantes |
Area:
UV/visible absorption, Electronic capture, Core ionization, Qm/mm, LscfGoogle:
"Adèle Laurent"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Xavier Assfeld | grad student | 2010 | Nancy 1 | |
| (Etude de phénomènes électroniques de macromolécules à l'aide de méthodes hybrides QM-MM) | ||||
| Anna I. Krylov | grad student | 2012 | USC | |
| (Postdoc) | ||||
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Publications
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| Le Guennic B, Scalmani G, Frisch MJ, et al. (2017) Investigating the optical properties of BOIMPY dyes using ab initio tools. Physical Chemistry Chemical Physics : Pccp |
| Grabarz AM, Jędrzejewska B, Zakrzewska A, et al. (2017) Photophysical Properties of Phenacylphenantridine Difluoroboranyls: Effect of Substituent and Double Benzannulation. The Journal of Organic Chemistry. 82: 1529-1537 |
| Budzák Š, Laurent AD, Laurence C, et al. (2016) Solvatochromic Shifts in UV-Vis Absorption Spectra: The Challenging Case of 4-Nitropyridine N-Oxide. Journal of Chemical Theory and Computation. 12: 1919-29 |
| Grabarz AM, Laurent AD, Jędrzejewska B, et al. (2016) The Influence of the π-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group. The Journal of Organic Chemistry. 81: 2280-92 |
| Laurent AD, Medveď M, Jacquemin D. (2016) Using Time-Dependent Density Functional Theory to Probe the Nature of Donor-Acceptor Stenhouse Adduct Photochromes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 1846-51 |
| Medveď M, Budzák Š, Laurent AD, et al. (2015) Direct and indirect effects of dispersion interactions on the electric properties of weakly bound complexes. The Journal of Physical Chemistry. A. 119: 3112-24 |
| Chibani S, Laurent AD, Le Guennic B, et al. (2015) Excited states of ladder-type π-conjugated dyes with a joint SOS-CIS(D) and PCM-TD-DFT approach. The Journal of Physical Chemistry. A. 119: 5417-25 |
| Houari Y, Chibani S, Jacquemin D, et al. (2015) TD-DFT assessment of the excited state intramolecular proton transfer in hydroxyphenylbenzimidazole (HBI) dyes. The Journal of Physical Chemistry. B. 119: 2180-92 |
| Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215 |
| Hubin PO, Laurent AD, Vercauteren DP, et al. (2014) Investigation of ESIPT in a panel of chromophores presenting N-H∙∙∙N intramolecular hydrogen bonds. Physical Chemistry Chemical Physics : Pccp. 16: 25288-95 |