| Course title | |||||
| 化学基礎 [Basic Chemistry] | |||||
| Course category | technology speciality courses,ets. | Requirement | Credit | 2 | |
| Department | Year | 1～4 | Semester | Spring | |
| Course type | Spring | Course code | 021805 | ||
| Instructor(s) | |||||
| 阿部 穣里 [ABE Minori] | |||||
| Facility affiliation | Graduate School of Engineering | Office | 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. This course includes not only the lectures by the lecturer, but also includes discussions and presentations by students, experiments using a computer, and solving mathematical or physical-chemistry problems by hand. You need a mathematical calculator (or similar equipment, such as a smartphone). The lecturer will demonstrate some calculations using computational programs called Gaussian and Maple. 1st week: Why you go to University? Why you take “Basic Science”? 2nd week: Self-introduction, How many molecules are there in the world? 3rd week: Introduction of Gaussian, How to get money? 4th week: What is matter? What is light? 5th week: Nature of light and electron 6th week: Bohr model 7th week: Overview, mathematical explanation of partial differentiation 8th week: Derivation of Schrodinger equation, nature of wave function 9th week: one-dimensional square well potential problem 10th week: two and three-dimensional square well potential problem 11th week: Schrodinger equation of Hydrogen atom 12th week: Schrodinger equation of Hydrogen atom, mathematical software 13th week: Multi-electronic atoms, electron configuration, spin 14th week:H2+ molecule, Linear combination of atomic orbital (LCAO) 15th week: Overview, question and comments, discussion |
| Prerequisites |
| Students entering 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 |
| Japanese text written by Nakata Munetaka “Ryoshi Kagaku Kihon no Kangaekata” |
| References |
| Physical Chemistry: A Molecular Approach by McQuarrie and Simon, University Science Books; 1 edition (July 1, 1997) etc |
| Assessment/Grading |
| Attitudes and small examinations (40%), three times reports (20% in each report) Late-coming more than 15 minutes corresponds to an absence of the class. You will fail to get your credit with more than two 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 |
| Language Subject |
| Last update |
| 3/22/2017 1:19:51 PM |