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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Vibrational states of deuterated trans- and cis-formic acid: DCOOH, HCOOD, and DCOOD
Aerts, Antoine, Carbonnière, P, Richter, F, Brown, Alex
Published in The Journal of chemical physics (14.01.2020)
Published in The Journal of chemical physics (14.01.2020)
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Anharmonic Vibrational Treatment Exclusively in Curvilinear Valence Coordinates: The Case of Formamide
Richter, F, Thaunay, F, Lauvergnat, D, Carbonnière, P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2015)
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Synthesis and Characterization of NaBD3H, A Potential Structural Probe for Hydrogen Storage Materials
Hagemann, H, D’Anna, V, Carbonnière, P, Gil Bardají, E, Fichtner, M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.12.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.12.2009)
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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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Vibrational spectra of difluorosilane from a hybrid ab initio and DFT quartic force field
Begue, Didier, Carbonniere, Philippe, Barone, Vincenzo, Pouchan, Claude
Published in Chemical physics letters (24.10.2005)
Published in Chemical physics letters (24.10.2005)
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