932 resultados para FORCE-FIELDS


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Antología de la literatura en lengua inglesa desde los orígenes hasta la época contemporánea. Su objetivo es inculcar en los estudiantes el amor por la literatura y hacer que participen activamente en la experiencia del aprendizaje a través de: un examen a fondo del mundo literario en inglés basado en una selección equilibrada de autores y textos; una estructura modular en la que cada módulo corresponde a un período histórico / literario; una introducción a la apreciación de los textos literarios a través del análisis de las principales características de los géneros literarios; así como un enfoque flexible, que permite elaborar itinerarios modulares y realizar análisis de texto completo.

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The influence of the basis set size and the correlation energy in the static electrical properties of the CO molecule is assessed. In particular, we have studied both the nuclear relaxation and the vibrational contributions to the static molecular electrical properties, the vibrational Stark effect (VSE) and the vibrational intensity effect (VIE). From a mathematical point of view, when a static and uniform electric field is applied to a molecule, the energy of this system can be expressed in terms of a double power series with respect to the bond length and to the field strength. From the power series expansion of the potential energy, field-dependent expressions for the equilibrium geometry, for the potential energy and for the force constant are obtained. The nuclear relaxation and vibrational contributions to the molecular electrical properties are analyzed in terms of the derivatives of the electronic molecular properties. In general, the results presented show that accurate inclusion of the correlation energy and large basis sets are needed to calculate the molecular electrical properties and their derivatives with respect to either nuclear displacements or/and field strength. With respect to experimental data, the calculated power series coefficients are overestimated by the SCF, CISD, and QCISD methods. On the contrary, perturbation methods (MP2 and MP4) tend to underestimate them. In average and using the 6-311 + G(3df) basis set and for the CO molecule, the nuclear relaxation and the vibrational contributions to the molecular electrical properties amount to 11.7%, 3.3%, and 69.7% of the purely electronic μ, α, and β values, respectively

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The guidelines presented in this document are a preliminary strategy for establishing a comprehensive policy for the needs of training and education wiyhin the sector and adjoining areas, across fields of knowledge and professions concerned, on relevant levels and for the varies institutions and operators. The objective of these guidelines is to analysis the problems, objectives and goals for development of a far reaching system of educational and training programs and courses for museums, cultural heritage and related fields of activities. This objective comprises a close collaboration between museum, cultural heritage organizations and educating organizations, notably within universities and colleges, but also other kinds of educating bodies.

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Museology has emerged and has been organised as a field of knowledge, precisely to frame the technical, theoretical and methodological aspects, regarding the constitution, implementation and evaluation of the processes that societies establish for the selection, treatment and extroversion of the memory indicators, transforming them into patrimonial references and projecting them into the constitutive fields of cultural heritage. It is therefore, one of the areas of knowledge that deals with the framing of heritage and their professionals are agents of memory education. The constitution of the parameters that define and delimit the museological action field has been outlined in the course of the centuries, if we consider the technical efforts related to the identification and organisation of collections, in addition to the curatorial treatment of specimens from nature, of objects, of the intangible heritage registers. The same length of elaboration is true if we evaluate the communication initiatives and of education of the senses.

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