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RightsPreviewIssue DateTitleAuthor(s)Type
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  ; 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  ; 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  ; 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  ; 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. ; Marakchi, K.; Komiha, N.; Senent, María Luisa  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  artículo
closedAccessaccesoRestringido.pdf.jpg1994A Theoretical Spectroscopic Study of the Ã1Au(S1) ← X̃1Ag(S0), n → π* Transition in Biacetyl, (CH3CO)2Senent, María Luisa  ; 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  ; 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  ; Moule, D. C.; Smeyers, Y. G.artículo
openAccessSenent.pdf.jpg1996Ab initio calculations and analysis of the torsional spectra of dimethylamine and dimethylphosphineSenent, María Luisa  ; Smeyers, Y. G.artículo
openAccessAb initio.pdf.jpg10-Jan-2010AB initio characterization of C- 4, C4H, and C4H-Senent, María Luisa  ; Hochlaf, M.artículo
openAccesshttpGetPDFServlet.pdf.jpgOct-2007Ab initio characterization of C5Massó, Helena ; Veryazov, V.; Malmqvist, P. A.; Roos, B. O.; Senent, María Luisa  artículo
closedAccessaccesoRestringido.pdf.jpg2009Ab initio characterization of C6Massó, Helena ; Senent, María Luisa  artículo
openAccessInostroza.pdf.jpg2008Ab initio characterization of linear C3Si isomersInostroza, N. ; Hochlaf, M.; Senent, María Luisa  ; 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  ; 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  ; 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  ; 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  ; 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  ; Fernández Herrera, S.; Smeyers, Y. G.artículo
closedAccessaccesoRestringido.pdf.jpg1996Ab initio determination of the torsional and wagging FIR spectrum of methylamineSmeyers, Y. G.; Villa, M.; Senent, María Luisa  artículo