This course supports students in understanding the computational studies on organic chemistry, calculating electrostatic potential, HOMO/LUMO, IR of organic molecules and a transition state of organic reactions to understand reaction mechanisms.
Through the series of exercises, students learn about the basis of computational study for organic compounds and reactions.
|✔ Specialist skills||Intercultural skills||Communication skills||✔ Critical thinking skills||✔ Practical and/or problem-solving skills|
Introduction lecture, and exercise using computer system is followed.
Attendance is taken in every class.
|Course schedule||Required learning|
|Class 1||Introduction and exercise for drawing structure of molecule||Exercise problems are given in this class.|
|Class 2||Calculation of IR and UV spectra for organic compounds||Exercise problems are given in this class.|
|Class 3||Calculation of HOMO/LUMO and electrostatic potential for organic compounds||Exercise problems are given in this class.|
|Class 4||Calculation of bond dissociation energy and pKa||Exercise problems are given in this class.|
|Class 5||Calculation for a global minimum conformation of organic compounds||Exercise problems are given in this class.|
|Class 6||Calculation of unstable reaction intermediates for organic reactions||Exercise problems are given in this class.|
|Class 7||Calculation of a transition state for organic reactions||Exercise problems are given in this class.|
To enhance effective learning, students are encouraged to spend approximately 100 minutes preparing for class and another 100 minutes reviewing class content afterwards (including assignments) for each class.
They should do so by referring to textbooks and other course material.
Supplemental materials are given in the class.
Students’ course scores are based on reports with and exercise problems (ca. 75%) and also attendance (ca. 25%).
The following basic knowledge and skills are helpful for this class:
1. Organic Chemistry
2. Crystal Chemistry
3. Having a login account of TSUBAME