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Comparison of properties and crystalline structures of nitrates, sulphates and phosphates of Co(II) and Ni(II)
(Universitat Jaume I, 2021-07-09)
The main objective of this project is to compare crystalline properties and structures of
nitrates, sulphates and phosphates of Co(II) and Ni(II).
Cobalt (Z = 27) and nickel (Z = 28) are transition metals. They present ...
Computational Chemistry Laboratory: Calculating the Energy Content of Food
(Universitat Jaume I, 2021-07-23)
The nutritional value of foods has been evaluated to assess whether the theoretical value obtained
through computational calculations correlates with the one provided on the food labeling. For this
purpose, the combustion ...
Introduction to Quantum Computing for Graduate Students in Chemistry
(Universitat Jaume I, 2021-07-23)
Aims
1- To provide an overview of the concepts of classical computation and quantum
mechanics on which quantum computing is based.
2- Introduce the basic ideas about quantum computing and expose its main
differences ...
Introduction to computational chemistry. study of the interactions between inhibitors and enzymes
(Universitat Jaume I, 2021-07-23)
The work carried out in this study consists of a preliminary introductory step in the area of
computational chemistry in order to apply the knowledge acquired, and to be able to model
different inhibitors of the system ...
Inorganic Semiconductors as biocidal materials
(Universitat Jaume I, 2021-09-24)
A class of material that has great interest is the inorganic
semiconductors that are defined as inorganic solids capable of changing
their conductivity, passing from an insulator to a conductor. Inorganic
semiconductors ...
High mechanical resistance glass-ceramic tiles prepared from solid wastes
(Universitat Jaume I, 2021-09-24)
The development of new glass-ceramic tiles by sinter-crystallization method have been
investigated using solid wastes (ceramic polishing, soda-lime-silicate glass, eggshell, mussel shell
and industrial sludge’s). Chemical ...
Synthesis of bis-NHC precursors and study of their coordination capabilities
(Universitat Jaume I, 2021-06-25)
N-Heterocyclic carbenes (from now on NHCs) are neutral compounds containing a
divalent carbon atom with six valence electrons and being part of a nitrogen atom
containing heterocycle. Four electrons are involved in σ-bonds ...