Basic Use of Computers in Chemistry   (1111H)

Academic year:

2012/2013.

Attendance requirements:

There are no requirements.

ECTS:

2

Study level:

Study program:

Teacher:

Miloš K. Milčić, Ph.D.
associate professor, Faculty of Chemistry, Studentski trg 12-16, Beograd

Assistant:

Dubravka Z. Vojislavljević Vasilev, Ph.D.
research associate, Innovation center, Studentski trg 12-16, Beograd

Hours of instruction:

Weekly: two hours of exercises (0+2+0)

Goals:

Taking the rapid development of computers into consideration, one must be aware of the fact that Computational Chemistry become very important field of Chemistry. Using computers it is possible to solve many problems in chemistry that is not possible to solve by experimental methods.

Outcome:

In this course students should learn how to use numerous programs that can help them with organizing and analyzing data, including drawing formulas and to making three-dimensional figures of molecules.

Teaching methods:

Exercises.

Extracurricular activities:

—

Coursebooks:

• Andrew R. Leach: Molecular modeling principles and applications

Additional material:

—

Exercises:

20 points (2 hours a week)

Syllabus:

• Programs for text editing, MS Word for Windows, writing a text with chemical formulas and chemical reactions.
• Spreadsheet calculation software, MS Excel, working with tables, solving problems using spreadsheet calculation software.
• Making diffrent types of graphycs that are often used in chemistry.
• Internet, searching internet, finding web pages with informations in chemistry, searching chemical literature, KOBSON, Science Direct, SciFinder.
• Programs for drawing molecules, ChemSketch, drawing molecular structures, drawing paths of chemical reactions, inserting figures to the programs for texts editing.
• Making three-dimensional figures of molecules, geometry optimization of molecules.
• Using databanks.

Colloquia:

20 points

Written exam:

30 points

Practical exam:

30 points