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Course Information

Course Information

Course Title	Code	Semester	L+U Hour	Credits	ECTS
CHEMISTRY OF HETEROCYCLIC COMPOUNDS II	801300715560		3 + 0	3.0	8.0

Prerequisites

None

Language of Instruction	Turkish
Course Level	Graduate Degree
Course Type	Compulsory
Mode of delivery	Lecture, question-answer, discussion, case study research
Course Coordinator
Instructors
Assistants
Goals	To give information about the basic concepts, methods, and applications of computational Chemistry. To gain the ability to use the software packages that performs theoretical calculations and application to a variety of chemical events
Course Content	Electronic structure methods; ab initio molecular orbital methods (Moller-Plesset Perturbation theory), density functional theory (DFT) and their applications in organic chemistry. Open and closed shell systems, Roothaan-Hall equations, basis sets, electron correlation, hybrid methods (G2, IMOMO, IMOMM, QM / MM) and modeling systems in solutions. Comparison of the accuracy and the use of the different methods. Applications in current program packages: GAUSSIAN and SPARTAN
Learning Outcomes	1) Understands that organic compounds and their properties, not only in the lab, can also be found theoretically with the computer , 2) Knows current package programs and uses by selecting the appropriate program 3) Calculates physical and chemical properties of molecules of all kinds. 4) Uses the Computational Chemistry in calculation of the geometry and properties of organic molecules 5) Explaines the organic reaction mechanisms. 6) Design new molecules. 7) Selects and uses the appropriate basis set 8) Understands that organic compounds and their properties, not only in the lab, can also be found theoretically with the computer