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Medicinal Chemistry
Microscopic Physical Chemistry

Microscopic Physical Chemistry

Code	10254
Year	2
Semester	S2
ECTS Credits	6
Workload	T(30H)/TP(30H)
Scientific area	Chemistry
Mode of delivery	Classroom attendance.
Work placements	Not applicable
Learning outcomes	The aim is of this CU is to transmit to the students knowledge of chemical reactivity and interaction forces between the particles at a molecular level and the theoretical concepts and principles that enable them to make a quantitative analysis within the chemical kinetics and chemical dynamics. At the end of this curricular unit, the student should be able to: - Develop reasonable mechanism for a chemical reaction in homogeneous phase and be capable of presenting the kinetic equation based on the proposed mechanism - Determine all the steps of a chemical reaction in heterogeneous phase from the experimental data and to establish the controlling step - Know the transport properties developed in the presence of an interface - Know the basic principles of the quantum mechanics and to describe the different theories capable of explaining the structure and the properties of the materials.
Syllabus	GASES KINETIC THEORY : Velocity distributions, mean free path and collision rates; Collisions with a surface and effusion; Collisions of hard-sphere molecules; Effects of molecular interactions on collisions; Transport phenomena in gases; Calculation of transport coefficients CHEMICAL KINETICS: Rate equations; Reaction order; Reaction mechanism; Catalysis; Arrhenius equation; Relation between rate and equilibrium constants; Chain reactions; Enzymatic reactions. TRANSPORT PROPERTIES: Viscosity, diffusion phenomena and Fick’s laws. CHEMICAL DYNAMICS: Hard-sphere collision theory; Activation energy; Activated complex theory; Potential energy surfaces. INTRODUCTION TO QUANTUM CHEMISTRY: Photoelectric effect: a quantum hypothesis; Hydrogen atomic spectrum; Rydberg formula; Angular momentum and Bohr theory; De Broglie theory; Heisenberg uncertainty principle.
Main Bibliography	Atkins, P.; Paula, J., “Atkins’ Physical Chemistry”, 8ed. Nova York: Oxford Press. Wedler G., “Manual de Química Física”, Editora Fundação Calouste Gulbenkian. González Velasco, J.R.; González Marcos, J. A; González Marcos, M. P.; Gutierrez Ortiz, J. I., “Cinética Química Aplicada”, Editorial Sintesis.
Language	Portuguese. Tutorial support is available in English.