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closedAccessaccesoRestringido.pdf.jpg1993A comparative analysis of the internal rotation in acetone and trans-dimethylglyoxal. Application to the fundamental frequencies and torsional modesSmeyers, Y. G.; Senent, María Luisa CSIC ORCID ; Peñalver, F. Y. J.; Moule, D. C.artículo
closedAccessaccesoRestringido.pdf.jpg1998A 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
openAccessA five-dimensional.pdf.jpg7-Jul-2009A five-dimensional potential-energy surface for the rotational excitation of SO2 by H2 at low temperaturesSpielfiedel, A.; Senent, María Luisa CSIC ORCID ; Dayou, F.; Balana, C.; Cressiot-Vincent, L.; Faure, A.; Wiesenfeld, L.; Feautrier, N.artículo
openAccessA new ab initio.pdf.jpg8-Jul-2015A new ab initio potential energy surface for the collisional excitation of N2H(+) by H2Spielfiedel, A.; Senent, María Luisa CSIC ORCID ; Kalugina, Y.; Scribano, Y.; Balança, C.; Lique, F.; Feautrier, N.artículo
openAccessNew0001.pdf.jpg25-Apr-2015A new theoretical approach of amelioration the CO2 uptake efficiency of ZIF. The substitution of imidazole by different functionSalah, M.; Dalbouha, S. CSIC; Marakchi, K.; Komiha, N.; Senent, María Luisa CSIC ORCID póster de congreso
closedAccessaccesoRestringido.pdf.jpg2006A 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
closedAccessaccesoRestringido.pdf.jpg1994A Theoretical Spectroscopic Study of the Ã1Au(S1) ← X̃1Ag(S0), n → π* Transition in Biacetyl, (CH3CO)2Senent, María Luisa CSIC ORCID ; Moule, D. C.; Smeyers, Y. G.; Torolabbe, A.; Peqalver, F. J.artículo
closedAccessaccesoRestringido.pdf.jpg1994A theoretical study of the methyl torsional modes in the a 3Au (T1) ← X 1Ag (S0) n → π* spectrum of biacetylSenent, María Luisa CSIC ORCID ; Moule, D. C.; Smeyers, Y. G.; Peñalver, F. J.artículo
closedAccessaccesoRestringido.pdf.jpg1995Ab initio and spectroscope study of dimethyl sulfide. An analysis of the torsinal spectra of (CH3)2S and (CD3)2SSenent, María Luisa CSIC ORCID ; Moule, D. C.; Smeyers, Y. G.artículo
openAccessORGANIC NON-RIGID MOLECULES.pdf.jpg21-Jun-2021Ab initio calculation applied to the study of organic non-rigid molecules with (at least) three torsional modesSenent, María Luisa CSIC ORCID comunicación de congreso
openAccessSenent.pdf.jpg1996Ab initio calculations and analysis of the torsional spectra of dimethylamine and dimethylphosphineSenent, María Luisa CSIC ORCID ; Smeyers, Y. G.artículo
openAccessAb initio.pdf.jpg10-Jan-2010AB initio characterization of C- 4, C4H, and C4H-Senent, María Luisa CSIC ORCID ; Hochlaf, M.artículo
openAccesshttpGetPDFServlet.pdf.jpgOct-2007Ab initio characterization of C5Massó, Helena; Veryazov, V.; Malmqvist, P. A.; Roos, B. O.; Senent, María Luisa CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2009Ab initio characterization of C6Massó, Helena; Senent, María Luisa CSIC ORCID artículo
openAccessInostroza.pdf.jpg2008Ab initio characterization of linear C3Si isomersInostroza, N. CSIC; Hochlaf, M.; Senent, María Luisa CSIC ORCID ; Letelier, J. R.artículo
closedAccessaccesoRestringido.pdf.jpg2003Ab initio comparative study of the structure and properties of H2-porphin and H2-phthalocyanine. The electronic absorption spectraCortina, H.; Senent, María Luisa CSIC ORCID ; Smeyers, Y. G.artículo
openAccessSmeyers.pdf.jpg1998Ab initio determination of band structures of vibrational spectra of non-rigid molecules. Applications to methylamine and dimethylamineSmeyers, Y. G.; Senent, María Luisa CSIC ORCID ; Villa, M.artículo
closedAccessaccesoRestringido.pdf.jpg1999Ab initio determination of the effect of the C-C bond enlargement, the H wagging and the COH bending, on the torsional frequencies of glyoxalSenent, María Luisa CSIC ORCID ; Fernández Herrera, S.; Domínguez Gómez, R.; Smeyers, Y. G.; Villa, M.artículo
openAccessSenent Díez.pdf.jpg2000Ab initio determination of the far infrared spectra of some isotopic varieties of ethanolSenent, María Luisa CSIC ORCID ; Smeyers, Y. G.; Domínguez Gómez, R.; Villa, M.artículo
closedAccessaccesoRestringido.pdf.jpg2000Ab initio determination of the roto-torsional energy levels of hydrogen peroxideSenent, María Luisa CSIC ORCID ; Fernández Herrera, S.; Smeyers, Y. G.artículo