Learning objectives
Show how chemistry related problems could be addressed
using computer aided methods
• Understanding the theoretical basis of computational chemistry
• Exploiting computer aided calculations: building input files, reading output files and
using graphical visualization)
• Critical evaluation of the obtained results
Prerequisites
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Course unit content
Computer aided classical and quantum methodologies for molecular properties calculations
Full programme
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Bibliography
F. Jensen "Introduction to Computational Chemistry" (WILEY)
Teaching methods
Lectures assisted by practical exercises
on selected topics
Assessment methods and criteria
oral examination
Other information
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2030 agenda goals for sustainable development
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