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Rights | Preview | Issue Date | Title | Author(s) | Type |
closedAccess |  | 1993 | A comparative analysis of the internal rotation in acetone and trans-dimethylglyoxal. Application to the fundamental frequencies and torsional modes | Smeyers, Y. G.; Senent, María Luisa CSIC ORCID ; Peñalver, F. Y. J.; Moule, D. C. | artículo |
closedAccess |  | 1998 | A comparative analysis of the QCISD(T) and the CCSD(T) potential energy surfaces for the torsional mode of glyoxal (COH-COH) | Senent, María Luisa CSIC ORCID ; Fernández Herrera, S.; Meléndez, F. J. | artículo |
openAccess |  | 7-Jul-2009 | A five-dimensional potential-energy surface for the rotational excitation of SO2 by H2 at low temperatures | Spielfiedel, A.; Senent, María Luisa CSIC ORCID ; Dayou, F. CSIC; Balana, C.; Cressiot-Vincent, L.; Faure, A.; Wiesenfeld, L.; Feautrier, N. | artículo |
openAccess |  | 8-Jul-2015 | A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2 | Spielfiedel, A.; Senent, María Luisa CSIC ORCID ; Kalugina, Y.; Scribano, Y.; Balança, C.; Lique, F.; Feautrier, N. | artículo |
openAccess |  | 25-Apr-2015 | A new theoretical approach of amelioration the CO2 uptake efficiency of ZIF. The substitution of imidazole by different function | Salah, M.; Dalbouha, S. CSIC ORCID; Marakchi, K.; Komiha, N.; Senent, María Luisa CSIC ORCID | póster de congreso |
closedAccess |  | 2006 | A simple variational-numerical approach to the ro-vibrational spectrum of diatomic molecules. An application to CH+ | Letelier, J. R.; Senent, María Luisa CSIC ORCID | artículo |
closedAccess |  | 1994 | A Theoretical Spectroscopic Study of the Ã1Au(S1) ← X̃1Ag(S0), n → π* Transition in Biacetyl, (CH3CO)2 | Senent, María Luisa CSIC ORCID ; Moule, D. C.; Smeyers, Y. G.; Torolabbe, A.; Peqalver, F. J. | artículo |
closedAccess |  | 1994 | A theoretical study of the methyl torsional modes in the a 3Au (T1) ← X 1Ag (S0) n → π* spectrum of biacetyl | Senent, María Luisa CSIC ORCID ; Moule, D. C.; Smeyers, Y. G.; Peñalver, F. J. | artículo |
closedAccess |  | 1995 | Ab initio and spectroscope study of dimethyl sulfide. An analysis of the torsinal spectra of (CH3)2S and (CD3)2S | Senent, María Luisa CSIC ORCID ; Moule, D. C.; Smeyers, Y. G. | artículo |
openAccess |  | 21-Jun-2021 | Ab initio calculation applied to the study of organic non-rigid molecules with (at least) three torsional modes | Senent, María Luisa CSIC ORCID | comunicación de congreso |
openAccess |  | 1996 | Ab initio calculations and analysis of the torsional spectra of dimethylamine and dimethylphosphine | Senent, María Luisa CSIC ORCID ; Smeyers, Y. G. | artículo |
openAccess |  | 10-Jan-2010 | AB initio characterization of C- 4, C4H, and C4H- | Senent, María Luisa CSIC ORCID ; Hochlaf, M. | artículo |
openAccess |  | Oct-2007 | Ab initio characterization of C5 | Massó, Helena CSIC ORCID; Veryazov, V.; Malmqvist, P. A.; Roos, B. O.; Senent, María Luisa CSIC ORCID | artículo |
closedAccess |  | 2009 | Ab initio characterization of C6 | Massó, Helena CSIC ORCID; Senent, María Luisa CSIC ORCID | artículo |
openAccess |  | 2008 | Ab initio characterization of linear C3Si isomers | Inostroza, N. CSIC; Hochlaf, M.; Senent, María Luisa CSIC ORCID ; Letelier, J. R. | artículo |
closedAccess |  | 2003 | Ab initio comparative study of the structure and properties of H2-porphin and H2-phthalocyanine. The electronic absorption spectra | Cortina, H.; Senent, María Luisa CSIC ORCID ; Smeyers, Y. G. | artículo |
openAccess |  | 1998 | Ab initio determination of band structures of vibrational spectra of non-rigid molecules. Applications to methylamine and dimethylamine | Smeyers, Y. G.; Senent, María Luisa CSIC ORCID ; Villa, M. | artículo |
closedAccess |  | 1999 | Ab initio determination of the effect of the C-C bond enlargement, the H wagging and the COH bending, on the torsional frequencies of glyoxal | Senent, María Luisa CSIC ORCID ; Fernández Herrera, S.; Domínguez-Gómez, R. CSIC; Smeyers, Y. G.; Villa, M. | artículo |
openAccess |  | 2000 | Ab initio determination of the far infrared spectra of some isotopic varieties of ethanol | Senent, María Luisa CSIC ORCID ; Smeyers, Y. G.; Domínguez-Gómez, R. CSIC; Villa, M. | artículo |
closedAccess |  | 2000 | Ab initio determination of the roto-torsional energy levels of hydrogen peroxide | Senent, María Luisa CSIC ORCID ; Fernández Herrera, S.; Smeyers, Y. G. | artículo |