Ara mostrant els elements 1-3 de 3
Rodríguez Mayorga, Mauricio (Data de defensa: 2018-07-24)
In this thesis, we focused on the alternative methodologies that are based on the reconstruction of density matrices. While in DFT several benchmarks can be found in the literature, for the rest of ...
Cassú Ponsatí, Daniel (Data de defensa: 2018-04-20)
Transition metal-catalysed [2+2+2] cycloaddition reactions involving unsaturated substrates represent one of the most elegant methods in organic chemistry to prepare functionalised cyclic compound. This ...
Postils Ribó, Verònica (Data de defensa: 2018-05-07)
In this thesis, the three constituent areas of chemistry (in agreement with Jensen's quotation in his "Introduction to Computational Chemistry" book), which are construction, transformation, and properties ...