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Course Information

Course Information

Course Title	Code	Semester	L+U Hour	Credits	ECTS
COMPUTATIONAL ORGANIC CHEMISTRY I	801300715950		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	Pervin ÜNAL CİVCİR
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	The basic concepts of computational chemistry and use in organic chemistry. The techniques and applications of quantum mechanics and molecular orbital methods. Hückel molecular orbital (HMO), Hartree-Fock (HF) theories, definitions of Fock equations and SCF theory. Molecular mechanics and semi-empirical methods. Description of and applications of MMX, MM2, CNDO, MINDO, MNDO, INDO, ZINDO, AM1, PM3 and SAM1 methods
Learning Outcomes	1) Describes modern methods of molecular modeling. 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 ,