| Course title | |||||
| 化学基礎 [Basic Chemistry] | |||||
| Course category | technology speciality courses | Requirement | Credit | 2 | |
| Department | Year | 2～4 | Semester | 1st | |
| Course type | 1st | Course code | 022654 | ||
| Instructor(s) | |||||
| 阿部 穣里 [ABE Minori] | |||||
| Facility affiliation | Graduate School of Engineering | Office | afjgxte/L1151 | Email address | |
| Course description |
|
Theoretical and computational chemistry plays important roles in expecting or analyzing various chemical phenomenon or laboratory experiments. The winners of Nobel prize in chemistry in 2013 are working on this field. Today people think that chemistry is not only discussed from experiments but also theoretical simulations. In this lecture, I introduce quantum mechanics, an important rule for small particles and also basics in theoretical chemistry. We will consider how the quantum mechanics is used for chemical problems. Major discussions in chemistry are based on molecular electronic states. We will solve the Schrodinger equation for the electrons in atoms or molecules by hand or using a computer, which will help you to understand the theoretical chemistry world more deeply. I expect learners already have enough knowledge for classical mechanics in high school. |
| Expected Learning |
|
Learners will understand the following points. (1) roles of theoretical chemistry (2) basic knowledge of quantum mechanics (3) electronic structure of atoms (4) electronic structure of molecules |
| Course schedule |
|
In the beginning of each lecture, you have a small examination and you need to study beforehand every week. The problems and answers are opened in the internet. 1st week: Introduction: Chemistry is mathematics! 2nd week: Review of classic mechanics in high school (equation of motion, circular motion) 1st week: Bohr model, partial derivative 2nd week: wave equation, nature of light and electron 3rd week: Derivation of Schrodinger equation, nature of wave function 4th week: one-dimensional square well potential problem 5th week: two and three-dimensional square well potential problem 6th week: Schrodinger equation of Hydrogen atom 7th week: Schrodinger equation of Hydrogen atom, mathematical software 8th week: Multi-electronic atoms, electron configuration, spin 9th week:H2+ molecule, Linear combination of atomic orbital (LCAO) 10th week: Molecular orbital and chemical reaction |
| Prerequisites |
|
Students attending this course are expected to have enough knowledge of physics (especially classical mechanics and wave function) at high-school level. |
| Required Text(s) and Materials |
| References |
|
Japanese text written by Nakata Munetaka “Kiso Course Butsuri Kagaku I Ryoshi Kagaku” Physical Chemistry: A Molecular Approach by McQuarrie and Simon, University Science Books; 1 edition (July 1, 1997) etc |
| Assessment/Grading |
|
Attitudes and mini-examinations, and three reports. Late-coming more than 15 minutes equals to an absence of the class. You will fail to get your credit with more than twice absences of the classes. |
| Message from instructor(s) |
| I will do my best and make this course enjoyable and memorable for you. You can enjoy studying theoretical chemistry by getting over various mathematics and physics problems and computational simulations! |
| Course keywords |
| Computational chemistry, quantum mechanics, atom, molecule, electronic structure |
| Office hours |
| 8th building ,room 571, Tokyo Metropolitan University, 1-1, Minami-Osawa, Hachioji, Tokyo |
| Remarks 1 |
| Remarks 2 |
| Related URL |
| http://www.comp.tmu.ac.jp/minoria/qc/qc_first.html |
| Lecture Language |
| Japanese |
| Language Subject |
| Last update |
| 4/24/2020 12:17:35 PM |