| Course Unit Code | Course Unit Title | Type of Course Unit | Year of Study | Semester | Number of ECTS Credits | | BMB-23-141 | HESAPSAL ORGANİK KİMYA UYGULAMALARI | Elective | 1 | 2 | 6 |
|
| Level of Course Unit |
| Second Cycle |
| Objectives of the Course |
| To be able to evaluate and use the new information learned in computational chemistry with a systematic approach, to be able to use GaussView and Gaussian for quantum chemical calculations and to be able to interpret the results. |
| Name of Lecturer(s) |
| Doç.Dr. Zeynep Şilan TURHAN |
| Learning Outcomes |
| 1 | Makes a molecular drawing. | | 2 | Uses GaussView. | | 3 | Uses every kind of drawing program. | | 4 | Make theoretical calculation and interpret the results. |
|
| Mode of Delivery |
| Daytime Class |
| Prerequisites and co-requisities |
|
| Recommended Optional Programme Components |
|
| Course Contents |
| 1. To be able to make the necessary calculations to explain the structure of atoms and molecules through quantum mechanics.
2.To gain the ability to use algorithms related to calculations
3. To be able to choose the method and methods to be used in calculations
4.To create the necessary infrastructure to interpret the results obtained
5. To teach how to compare the results of experimental results with experimental results, to develop new models for the problem and to provide the correlation between different methods |
| Weekly Detailed Course Contents |
|
| 1 | ChemOffice Package Program: Drawing of molecules with ChemDraw program | | | | 2 | Preparation of data file for Gaussian and similar package programs with ChemOffice program | | | | 3 | GaussView Package Program; Preparation of molecule drawing and calculation file with GaussView package program | | | | 4 | Preparation of calculation file with GaussView package program | | | | 5 | Gaussian Package Program; Examining the keywords to be used in preparation of calculation file with Gaussian Package Program | | | | 6 | APPLICATION HOMEWORK | | | | 7 | APPLICATION HOMEWORK | | | | 8 | Calculation of calculation files prepared by Gaussian Package Program | | | | 9 | Calculation of calculation files prepared by Gaussian Package Program | | | | 10 | Analysis of calculated results | | | | 11 | Evaluation of calculation data | | | | 12 | APPLICATION HOMEWORK | | | | 13 | APPLICATION HOMEWORK | | | | 14 | APPLICATION HOMEWORK | | |
|
| Recommended or Required Reading |
| Exploring Chemistry and Electronic Structure Methods, 2nd Edition James Foresman adn Eleen Frsich,1996 |
| Planned Learning Activities and Teaching Methods |
|
| Assessment Methods and Criteria | |
| Midterm Examination | 1 | 50 | | Practice | 1 | 30 | | Observation | 1 | 20 | | SUM | 100 | |
| Final Examination | 1 | 50 | | Observation | 1 | 20 | | Individual Study for Final Examination | 1 | 30 | | SUM | 100 | | Term (or Year) Learning Activities | 50 | | End Of Term (or Year) Learning Activities | 50 | | SUM | 100 |
| | Language of Instruction | | Turkish | | Work Placement(s) | |
|
| Workload Calculation |
|
| Midterm Examination | 1 | 7 | 7 |
| Final Examination | 1 | 7 | 7 |
| Attending Lectures | 14 | 2 | 28 |
| Practice | 6 | 3 | 18 |
| Observation | 14 | 1 | 14 |
| Self Study | 14 | 2 | 28 |
| Individual Study for Homework Problems | 6 | 1 | 6 |
| Individual Study for Mid term Examination | 1 | 7 | 7 |
| Individual Study for Final Examination | 1 | 7 | 7 |
| Performance | 14 | 3 | 42 |
| Homework | 6 | 2 | 12 |
|
| Contribution of Learning Outcomes to Programme Outcomes |
| LO1 | 3 | 4 | 4 | 3 | 4 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | | LO2 | | | | | | | | | | | | | | | LO3 | | | | | | | | | | | | | | | LO4 | | | | | | | | | | | | | |
|
| * Contribution Level : 1 Very low 2 Low 3 Medium 4 High 5 Very High |
|
|
|
|
Iğdır University, Iğdır / TURKEY • Tel (pbx): +90 476
226 13 14 • e-mail: info@igdir.edu.tr
|