Universitą degli studi di Pavia


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Courses 2009
Lessons will be taken in february 2009, according to schedules decided between teachers and students.

Solution-phase Chemistry. Properties, reactivity and selectivity, modelled by implicit solvation models

Docente: M. Freccero

The aim of the course is to give teorethical bases for the evaluation of the appropriate method in order to solve chemistry problems, in both gas and solution phase. Next step is their application to real problems using practical excercises.

Using advanced software in high performance (Gaussian g03, Amber 7, GAMESS-US), technical and scientifical support will be directed to students interested in molecular simulations and reactivity. The alpha-numerical format for the construction of inputs and the analysis of successive outputs. In particular:
- Molecular geometry optimization
- Exploration of potential energy surfaces (reagents, products, transition states) useful for kinetical and thermodinamical parameters
- IR spectra simulations
- Implicit model in condensed phase using DFT teory
- Advantages and drawbacks of continuum solvatation models
- Explicit models for condensed phase
- Basicity determination in acqueous solvent
- Evaluation of solvatation in SN reactions
- Problems with open shell systems.

1) Essential of Computational Chemistry. Theory and Models. Christopher J. Cramer. Ed. Wiley. Second Edition. Ed. Wiley 2004.
2) Computational Organic Chemistry. Steven M. Bachrach. Ed. Wiley 2007.

Materials and devices for energy accumulation and conversion

Professors: G. Spinolo, A. Magistris

1) Crystallographic defect
2) Examples of solid electrolites
3) Solid state electrochemistry
4) Polymeric electrolites
5) Fuel Cell
6) Electrochemical sensors
7) Semiconductor sensors

Story of Chemistry in XX century

Professors: P. Ferloni, L. Garlaschelli, G.G. Mellerio

The course will present the chemistry in XX century,focusing on scientific topics approached by multi-disciplinary fields, i.e. botanic and biological and medical sciences, in particular at University of Pavia.

Lessons Program

Introduction. Method issues - P. Ferloni
Chemistry in the middle of Botanic and Pharmacy - G.G. Mellerio
Chemistry in Camillo Golgi's work - P. Ferloni
Classical topics in XX century Chemistry - G.G. Mellerio
The development of Italian Chemical Industry - G.G. Mellerio
Big industrial synthesis - P. Ferloni
Electrochemistry - P. Ferloni
Story of certain molecules in XX century - L. Garlaschelli
Story of certain molecules in XX century - L. Garlaschelli
Conclusions - P. Ferloni

Guided tour at "Museo per la Storia della Universitą" - P. Ferloni, G.G. Mellerio

Bibliography: Luigi Cerruti, Bella e potente, Editori Riuniti, Roma 2003
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