Course code:
111H2		 Course name:
Basic Use of Computers in Chemistry

Academic year:

2024/2025.

Attendance requirements:

There are no requirements.

ECTS:

2

Study level:

basic academic studies

Study program:

Chemistry: 1. year, summer semester, compulsory course

Teacher:

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

Assistant:

Marija R. Šuljagić
research assistant, Institute of Chemistry, Technology and Metallurgy, Njegoševa 12, Beograd

Hours of instruction:

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

Goals:

Considering the development of computers, the use of computers in chemistry is becoming an increasingly important area of chemistry. Many problems which cannot be solved by experimental methods can be solved by using computers, while a large amount of information and many solutions are obtained more easily and cheaply by using computers.

Outcome:

Within this course, students should learn how to use the programs which they will find useful in processing and presenting the results of their future work, including the programs for drawing chemical formulae and modeling 3D structures of molecules.

Teaching methods:

Theoretical/calculation exercises.

Extracurricular activities:

Studying, doing homework assignments, finding literature.

Coursebooks:
  • Andrew R. Leach: Molecular modeling principles and applications

Additional material:

—

  Course activities and grading method

Exercises:

20 points (2 hours a week)

Syllabus:

  • Programs for text editing, MS Word for Windows, typing a short text with chemical formulae and chemical reactions. Teaching students how to write term papers on a computer.
  • Spreadsheet calculation software, MS Excel, working with tables, using functions, solving problems using spreadsheet calculation software.
  • Drawing various types of graphs which are typically used in chemistry.
  • The Internet, searching the Internet, Internet browsers, web pages with useful information for chemists. Using a computer to search chemical literature, KoBSON, ScienceDirect, SciFinder.
  • Programs for drawing molecules, ChemSketch, drawing molecules, drawing chemical reaction paths, saving the drawings and copying them into a program for text editing.
  • Drawing a 3D structure of molecules, molecular geometry optimization, conformational analysis of small molecules.
  • Using databanks.

Colloquia:

20 points

Written exam:

30 points

Practical exam:

30 points