| 26933 Molecular Modeling for Experimental Chemists |
| Danish title: Molekylemodellering for syntesekemikere |
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Language: English ECTS-creditpoints: 1,7
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| Type: course at phd level, open university |
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Class schedule:
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Spring
One week |
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Exam schedule:
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Arrange with teacher |
| Scope and form: 3x3 h lectures, computer exercises |
| Evaluation: Approval of coursework/reports
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| Examination: Pass/fail |
| Aim: To give an overview of current techniques and some of the terminology of molecular modeling, and to let the participants experience basic modeling tasks |
| Contents: Common computational tasks: determination of structures, energies, conformational ensembles, influence of environment, dynamics. Underlying theories: quantum mechanics, molecular mechanics; requirements, applicability, accuracy. Application examples. |
| Contact: Per-Ola Norrby, building 201, (+45) 4525 2123, pon@kemi.dtu.dk |
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