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Shuai Z, Geng H, Xu W, et al. (2014) From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation. Chemical Society Reviews. 43: 2662-79
Hubin PO, Jacquemin D, Leherte L, et al. (2012) Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium–enamine conversion in a proline-catalyzed reaction Theoretical Chemistry Accounts. 131: 1261
Preat J, Michaux C, André J, et al. (2012) Pyrrolidine-based dye-sensitized solar cells: A time-dependent density functional theory investigation of the excited state electronic properties International Journal of Quantum Chemistry. 112: 2072-2084
Jacquemin D, Preat J, Perpète EA, et al. (2011) Absorption spectra of azobenzenes simulated with time-dependent density functional theory International Journal of Quantum Chemistry. 111: 4224-4240
Perpète EA, André J, Champagne B, et al. (2010) Electronic And Vibrational Polarizabilities Of Buckminsterfullerene Bulletin Des SociéTéS Chimiques Belges. 103: 135-141
André J, André M. (2010) The free-electron model and its role in polymer quantum chemistry Bulletin Des SociéTéS Chimiques Belges. 97: 1113-1118
Sonveaux E, Andre J, Delhalle J, et al. (2010) Theoretical-study of the Electronic-structure of Ketene, Ketenimine, Keteniminium Ion and Related Cumulenes - Evaluation of a 1,2-dipolar Model Bulletin Des SociéTéS Chimiques Belges. 94: 831-847
Riga J, Verbist JJ, Lamotte C, et al. (2010) Electronic structure of dimethyl disulfide and naphthalene 1,8-disulfide: Ab initio and E.S.C.A. results Bulletin Des SociéTéS Chimiques Belges. 87: 163-170
Colot G, Krief A, André J. (2010) Structure Electronique de l'oxepine, de l'azepine, de l'oxyde et de l'aziridine de benzene Bulletin Des SociéTéS Chimiques Belges. 84: 897-902
André J, André M, Leroy G. (2010) Theoretical Study of Small Ring Compounds. II. Cyclopropane, Methylcyclopropane and Dimethylcyclopropanes Bulletin Des SociéTéS Chimiques Belges. 80: 265-276
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