1. SECOND CYCLE - MASTER'S DEGREE
  2. THE GRADUATE SCHOOL OF NATURAL AND APPLIED SCIENCES
  3. CHEMICAL ENGINEERING DEPARTMENT
  4. 1241 Chemical Engineering
Course Information Course Learning Outcomes Course's Contribution To Program ECTS Workload Course Details
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COURSE INFORMATION
Course CodeCourse TitleL+P HourSemesterECTS
KMU 518COMPUTATIONAL CHEMISTRY-II3 + 02nd Semester7,5

COURSE DESCRIPTION
Course Level Master's Degree
Course Type Elective
Course Objective Ab initio calculations: The basic principles of the ab initio method, Basis sets, Post-HF calculations (electron correlation), Applications of the ab initio method, Strengths and weaknesses of ab initio calculations
Course Content Ab initio calculations: The basic principles of the ab initio method, Basis sets, Post-HF calculations (electron correlation), Applications of the ab initio method, Strengths and weaknesses of ab initio calculations; Semiempirical Calculations: The basic principles of SCF SE methods, Applications of SE methods, Strengths and weaknesses of SE methods; Density Functional Calculations: The basic principles of density functional theory, Applications of density functional theory, Strengths and weaknesses of DFT.
Prerequisites No the prerequisite of lesson.
Corequisite No the corequisite of lesson.
Mode of Delivery Face to Face

COURSE LEARNING OUTCOMES
1-

COURSE'S CONTRIBUTION TO PROGRAM
PO 01PO 02PO 03PO 04PO 05PO 06PO 07PO 08PO 09PO 10PO 11
LO 001           
Sub Total           
Contribution00000000000

ECTS ALLOCATED BASED ON STUDENT WORKLOAD BY THE COURSE DESCRIPTION
ActivitiesQuantityDuration (Hour)Total Work Load (Hour)
Course Duration (14 weeks/theoric+practical)14342
Hours for off-the-classroom study (Pre-study, practice)149126
Final examination11616
Midterm11111
Total Work Load

ECTS Credit of the Course





195

7,5
COURSE DETAILS
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L+P: Lecture and Practice
PQ: Program Learning Outcomes
LO: Course Learning Outcomes