307 research outputs found
Carta de F. Senent a Miquel Tomàs Ondiviela
No full textCarta de F. Senent de l'Instituto de Física Corpuscular (Instituto de Física Corpuscular) a Miquel Tomàs Ondiviela. En relació als usos de la taula Cefal. També li demana una reunió a València o al CER
Ab initio spectroscopic studies of non-rigid molecules: An application to acetic acid
No full textThe torsional levels of various isotopologues of acetic acid are determined from an ab initio potential energy surface using a flexible model depending on the OH-torsion and the methyl-torsion coordinates. Previous calculations for CH3-COOH and CH3-COOD are review and first theoretical energies of the one-deuterated species CH2D-COOH are provided. The zero point vibrational energy correction and an exact definition for the methyl-torsional coordinate have been considered. The levels are compared with previous calculations (Senent in Mol Phys 99:1311, 2001) and experimental data (Havey et al. in J Mol Spectrosc 229:151, 2005). Isotopic effects on the torsional barriers and energies are discussed. For CH2D-COOD, the deuteration splits by 25 cm-1 the zero vibrational energy level. © 2011 Springer Science+Business Media, LLC.The author acknowledges the Ministerio de Ciencia e Innovación of SPAIN for the grants AYA2008-00446 and AYA2009-05801-E/AYA and to CESGA for computing facilities.Peer Reviewe
SPECTROSCOPY AND STRUCTURE OF CHAINS TYPE , H and Si
No full textH. Masso, M.L. Senent, P. Rosmus and M. Hochlaf, J.Chem.Phys.J. Goicoechea, J. Cernicharo, H. Masso and M.L. Senent, ApJ.Author Institution: Departamento de Astrofisica Molecular e Infrarroja; Instituto de Estructura de la Materia, C.S.I.C., Madrid 28006, Spain.; Universite Paris-Est, Laboratoire de Modelisation et; Simulation Multi Echelle (FRE 3160 CNRS), Champs sur Marne; F-77454 Marne-la-Vallee,Cedex 2, France.; Departamento de Astrofisica Molecular e Infrarroja; Instituto de Estructura de la Materia, C.S.I.C., Madrid 28006, Spain.; Universidad Andres Bello, Departamento de Quimica; Facultad de Ecologia y Recursos Naturales, Santiago, Chile.Structures, vertical excitation energies to the first electronic states and spectroscopic parameters for the ground electronic state are determined for several small , H and Si astrophysically important molecular species } \underline{\textbf{124}}, 234304 (2006); M.L.~Senent H.~Masso and M.~Hochlaf, \textit{ApJ}, \underline{\textbf{670}}, 1510 (2007); H.~Masso, V.~Veryazov, P.A.~Malmqvist, B.O.~Roos and M.L.~Senent, \textit{J.Chem.Phys.} \underline{\textbf{127}}, 154318 (2007); M.~Hochlaf, C.~Nicolas and L.~Poisson, \textit{J.Chem.Phys.} \underline{\textbf{127}}, 014310 (2007) N.~Inostroza, M.~Hochlaf, M.L.~Senent and J.R.~Letelier (submitted 2008)}. The main aim of these investigations is to help the interpretation of several previous astrophysical observations } \underline{\textbf{609}}, 225 (2004); J.~Cernicharo, J.R.~Goicochea and Y.~Benilan, \textit{ApJ} \underline{\textbf{580}}, L157, 2002.} State-of-the art ab initio calculations are performed for this purpose. All species display isomerism although the inter-transformation processes, that involve various electronic states, are not well known. Anharmonic spectroscopic parameters are computed from full-dimensional Potential Energy Surfaces which are mapped close to their respective local minima. In light of these calculated properties (band positions, spectroscopic parameters, predictions of ro-vibronic effects, spin-spin constants,..) assignments for FIR astrophysical observed bands, are discussed. vspace{1em} \noinden
Carta de F. Senent (Universitat de Valência) a Pere Pascual sobre la oposició de Mecànica Quàntica de València
No full textFP03.04. Dasatinib improves the antitumor activity of anti-pd-1 in nsclc models by inhibiting treg conversion and proliferation
No full textRedin, E., Garmendia, I., Lozano, T., Serrano, D., Senent, Y., Redrado, M., Villalba, M., De Andrea, C. E.
Exposito, F., Ajona, D., Ortiz-Espinosa, S., Remirez, A.
Bertolo, C., Sainz, C., Garcia-Pedrero, J. M., Pio, R., Lasarte, J. J., Agorreta, J., Montuenga, L., Calvo, A
Polarization characteristics of light beams at the output of anisotropic depolarizing prisms
No full textTemperature dependence of rotational excitation rate coefficients of C 2H - in collision with He
No full textFrom a new two-dimensional Potential Energy Surface (PES), rotational excitation of the C 2H -(X 1Σ +) anion by collision with He is investigated. PES is obtained in the supermolecular approach based on a single and double-excitation coupled cluster method with perturbative contributions from triple excitations (CCSD(T)). Fully-quantum close-coupling calculations of inelastic integral cross sections are done on a grid of collision energies large enough to insure converged state-to-state rate coefficients for the 13 first rotational levels of C 2H - and temperatures ranging from 5 to 100 K. For this collisional system, rate coefficients exhibit a strong propensity in favor of even ΔN transitions. © 2012 Elsevier B.V. All rights reserved.M.L. Senent acknowledges the MICINN (Spain) for the Grant No. AYA2008-00446. Part of the calculations were performed at the IDRIS-CNRS French national computing center under Project No. 2010040883.Peer Reviewe
Santiago "Matamoros" in difesa dell’Immacolata Concezione: iconografia e significato della decorazione di santa Maria Porta Paradisi
No full textNel saggio si analizza l'iconografia della cupola della chiesa di Santa Maria Porta Paradisi a Roma, raffigurante l'Immacolata concezione con i suoi attributi e i rapporti con la politica spagnola per la proclamazione del Dogma
METHYLAMINE TORSIONAL-WAGGING FIR SPECTRUM HNH BENDING ANGLE DENPENDENCE.
No full text1) Ab-initio determination of the torsional and wagging FIR spectrum of methylamine. Y. G. Smeyers, M. Villa and M. L. Senent. 2) M. Kreglewski and F. Winther, J. Mol Spectrosc., 156, 261 (1992). 3) M. Kreglewski, in Structure and Conformations of Non-Rigid Molecules, (Eds. J. Laane et al), NATO-ASI S., Kluwer Ac., Dordrecht, 1993, pp. 29-43.Author Institution: Instituto de Estructura de la Materia, C.S.I.C., Madrid, Spain; Department de Quimica, U. A. M-I.Av La Purisia y Mechoacan, CP 09340, Mexico D.F., MexicoThe methylamine potential energy function for the torsion and wagging vibration motions depend upon the HNH bendijng angle of the amine groun (1). By using the RHF/MP2 approximation and a 6-31G++(3df, 3pd) basis set the energy potential surface and the kinetic parameters are calculated by considring the HNH angle a constant and considering it as a variable. With the former results the expremental inveraion barrier (2) reported in the literature can be properly reproduced. With a suitable symmetry adupted potential funtion the torssonal-wagging energy levels are calculated and compared with available experimetantal dats (3). The former work introduces the NHN bending angle as a third variable in the torisional-wagging FIR spectrum and is an initial step in considering the methylamine as a three dimensional non-rigid molecule
Assessment of nutrient loads and in-lake concentrations for Lake Pusiano and its catchment during the 2021-2023 drought
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