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Facultad de Ciencias
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Mestrado Universitario en Ciencias. Tecnoloxías e Xestión Ambiental (plan 2012)
 Subjects
  Applied Physical Chemistry
   Contents
Topic Sub-topic
TEMA 1.Computational Chemistry Introduction
Ab Initio Methods
Functional Theory Density
Semiempirical methods
Base functions
Molecular Mechanics
Molecular dynamics. Computational Chemistry Programs
Calculating properties
TEMA 2. Physical Chemistry Supramolecular Surfactants in water.
Surfactants in solvents.
Chemical reactions in microheterogeneous media: the simple pseudophase model and the ion-exchange pseudophase model .
TEMA 3. Molecular Recognition and Biocatalysis Host-guest systems.
Typical hosts: cyclodextrins, polyethers, siderophiles, dendrimers, ..., DNA.
Ligands of interest: ions, drugs, pesticides, cosmetics.
Pharmacological and industrial applications.
TEMA 4 Applied Photochemistry Photochemical reactions. photocatalysis
Supramolecular Photochemistry. Fluorophores and microenvironment.
Photochemical processes in supramolecular complexes.
Fluorescence protein. DNA technology.
TEMA 5. Applied Electrochemistry Potentiometric titrations.
Ion-selective electrodes. Membrane potentials.
Batteries and fuel cells.
Corrosion.
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