Calculations of Vibrational Energy Levels by Using a Hybrid ab Initio and DFT Quartic Force Field: Application to Acetonitrile
Begue, D, Carbonniere, P, Pouchan, C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.05.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.05.2005)
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An adaptive potential energy surface generation method using curvilinear valence coordinates
Richter, F, Carbonniere, P, Dargelos, A, Pouchan, C
Published in The Journal of chemical physics (14.06.2012)
Published in The Journal of chemical physics (14.06.2012)
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Theoretical and experimental study of low band gap polymers for organic solar cells
DKHISSI, A, OUHIB, F, CHAALANE, A, HIORNS, Roger C, DAGRON-LARTIGAU, C, IRATCABAL, P, DESBRIERES, J, POUCHAN, C
Published in Physical chemistry chemical physics : PCCP (01.01.2012)
Published in Physical chemistry chemical physics : PCCP (01.01.2012)
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An ab initio study of hydrotreating of thiirene and thiirane on MoS3H3+ catalytic site
Mensah, J.B., Gelize, M., Atohoun, Y.G.S., Pouchan, C.
Published in Bulletin of the Chemical Society of Ethiopia (01.12.2006)
Published in Bulletin of the Chemical Society of Ethiopia (01.12.2006)
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Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules
Carbonniere, Philippe, Lucca, Tecla, Pouchan, Claude, Rega, Nadia, Barone, Vincenzo
Published in Journal of computational chemistry (01.03.2005)
Published in Journal of computational chemistry (01.03.2005)
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Lattice dynamics of magnesium using pseudopotential and ab initio Hartree-Fock approaches
Marinelli, F, Roche, M, Baraille, I, I, Pouchan, C
Published in Physical review. B, Condensed matter (01.09.1996)
Published in Physical review. B, Condensed matter (01.09.1996)
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Conformational study of α,2-dimethylstyrene: Raman and FT-IR spectra and ab initio calculations
Ribeiro-Claro, P.J.A, Teixeira-Dias, J.J.C, Delmas, C, Pouchan, C
Published in Vibrational spectroscopy (01.09.2000)
Published in Vibrational spectroscopy (01.09.2000)
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