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FSI-TSMAcad. year: 2011/2012
Introduction in modelling of chemical structures. Students familiarize with basic methods of the energy of molecules or molecular systems by using the quantum chemistry. Basic types of interaction and their function expressions are discussed. The SPARTAN software package is used for determination of the energy minimum of a quantum system. Calculations of structures and energies. Computer design of a chemical synthesis by using the PEGAS software package.
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Specification of controlled education, way of implementation and compensation for absences
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branch B-FIN , 2 year of study, summer semester, compulsory-optional
Computer-assisted exercise
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