5 resultados para Graduate Center

em Universitat de Girona, Spain


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The genesis of this innovation lies in the commitment of a national Irish business enterprise to the professional development of its staff in general, and to the enhancement of its Information Technologies (IT) staff specifically, in collaboration with a national Higher Education (HE) provider. A postgraduate degree, awarded by the HE provider, seeks to bring coherence and cohesion to the education and training provision for newly recruited IT graduate staff of the business enterprise, simultaneously acting both as an induction process for new staff and as a professional capacity building exercise, thereby enhancing the enterprise’s organisational learning and collective competence in the areas of information technologies, IT security and technical service management. The curriculum was designed by the HE provider in collaboration with the business enterprise to offer it to circa sixteen IT staff per cycle of delivery through a model known generally as the new apprenticeship for professional practice which uses a combination of college-based, block release taught elements, regular day release seminars and substantial work-based learning, supported by the academic staff of the HE provider and work-based support staff/mentors of the business enterprise. Academic quality assurance, pedagogical, assessment and accreditation responsibilities remain with the HE provider. (...)

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Realització d’un pla de màrqueting i comercial de l’empresa Dive Center Palamós orientat específicament al mercat francès. L'autora tria aquest segment de clients per la seva proximitat a la Costa Brava i per la seva tradició de submarinisme

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A comparision of the local effects of the basis set superposition error (BSSE) on the electron densities and energy components of three representative H-bonded complexes was carried out. The electron densities were obtained with Hartee-Fock and density functional theory versions of the chemical Hamiltonian approach (CHA) methodology. It was shown that the effects of the BSSE were common for all complexes studied. The electron density difference maps and the chemical energy component analysis (CECA) analysis confirmed that the local effects of the BSSE were different when diffuse functions were present in the calculations

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The energy decomposition scheme proposed in a recent paper has been realized by performing numerical integrations. The sample calculations carried out for some simple molecules show excellent agreement with the chemical picture of molecules, indicating that such an energy decomposition analysis can be useful from the point of view of connecting quantum mechanics with the genuine chemical concepts

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A conceptually new approach is introduced for the decomposition of the molecular energy calculated at the density functional theory level of theory into sum of one- and two-atomic energy components, and is realized in the "fuzzy atoms" framework. (Fuzzy atoms mean that the three-dimensional physical space is divided into atomic regions having no sharp boundaries but exhibiting a continuous transition from one to another.) The new scheme uses the new concept of "bond order density" to calculate the diatomic exchange energy components and gives them unexpectedly close to the values calculated by the exact (Hartree-Fock) exchange for the same Kohn-Sham orbitals