| Type: | Ph.D.-level, Open University
Language: Danish |
|
|
|
|
|
|
|
|
|
|
|
|
Recommended semester: 7th - 9th semester
|
|
Scope and form: Lectures and practicals.
|
|
Examination: Evaluation of report(s) (Pass/fail)
|
|
|
Remarks: After the first 3 weeks students work individually or in groups of 2 or 3 on miniprojects approved by teacher. Broader-scope lectures and student seminars during second half of course. Reports submitted two weeks after course is finished.
deadline 14. of january
|
|
|
|
|
|
Department: Department of Chemistry
|
|
|
|
Contents: The course provides insight into the concepts and techniques of Conformational Analysis by Molecular Mechanics: molecular potential energy functions, energy minimisation, normal coordinate analysis, statistical thermodynamics; molecular structures, vibrational spectra; optimization of energy parameters on experimental data from structural and spectroscopic sources and from ab initio computations. Students are trained in the use of the software CFF (Consistent Force Field) which is developed here. Other software which is available here may also be used according to needs and interests.
|
