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2019　Exercise in Introductory Quantum Chemistry

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Academic unit or major
Undergraduate major in Chemistry
Instructor(s)
Ohshima Yasuhiro  Mizuse Kenta 
Class Format
Exercise     
Media-enhanced courses
Day/Period(Room No.)
Tue7-8(W323)  
Group
-
Course number
CHM.C203
Credits
1
Academic year
2019
Offered quarter
1Q
Syllabus updated
2019/3/18
Lecture notes updated
-
Language used
Japanese
Access Index

Course description and aims

This course is designed to give students a practical opportunity to solve exercise problems about quantum chemistry as well as to discuss various interesting subjects in quantum chemistry with teachers and colleagues (students), that will improve communication skills.
This course facilitates student’s understanding of the related course, basic quantum chemistry (CHM.C203). Students will have the chance to tackle practical problems by applying knowledge acquired through this course.

Student learning outcomes

By the end of this course, students will be able to:
(1) Understand motional states of atoms and molecules and nature of chemical bonds on the basis of
knowledge given in the related course, basic quantum chemistry (CHM.C203) .
(2) Apply various methods in quantum chemistry to calculate energies of motional states of atoms and molecules,
color and struture of plyatomic moleucles..
(3) Acquire communication ability to solve problems in chemistry with other colleagues.

Keywords

wave function, translation, rotation, vibration, electronic motion, molecular orbital

Competencies that will be developed

✔ Specialist skills Intercultural skills Communication skills Critical thinking skills ✔ Practical and/or problem-solving skills

Class flow

(1) In each class, excercise problems for the day of the class and for the next class are provided.
Students answer the former problems within the class. As for the latter problems,
student solve them after the class and must submitt reports in the beginning of the next class.
(2) Some students intorduce their answers for the problems in each class. A teacher and all the students
discuss the given ansers if they are correct.
By this discussion process, students deeply understand the subjects of quantum chemistry.

Course schedule/Required learning

  Course schedule Required learning
Class 1 Basic principle of quantum mechanics, wave function Explain wavefunctions of molecules. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 2 One-dimentional motion of a particle (translation motion of molecules) Explain wavefunction for translational motion of molecules. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 3 Harmonic oscillator (vibration motion of molecules) Explain wavefunction for vibartion motion of diatomic molecules. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 4 Rotation motion and angular momentum Explain wavefunction for rotation motion of diatomic molecules. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 5 Molecular energy: electron motion in hydrogen atom and many electron atoms Explain electronic wavefunctions of hydrogen atom and many electron atoms. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 6 Molecular orbital and electronic states of diatomic molecules Explain wavefunctions for elecronic states of diatomic molecules. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 7 Hybrid orbitals, conjugated molecules Explain chemical bonds of simple molecules by hybrid orbitals. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.
Class 8 Summary of class Explain molecular energies on the basies of quantum mechanics. To propose your answers or to ask questions and comments to other student's answer are strongly recommended.

Textbook(s)

Course materials of excercise problems are provided prior to class.

Reference books, course materials, etc.

Reference books:
McQuarrie Simon / Physical Chemistry a Molecular Approach,
P.W.Atkins / Molecular Quantum Mechanics (Oxford University Press)

Assessment criteria and methods

(1) Students will be assessed on their understanding of physicochemical properties of atoms and molecules on the basis of quantum mechanics, and their ability to apply them to solve problems.
(2) Student's course score are based on final exam (60%) and activities and excercise problems in class（40%）.
(3) The weights for learning outcomes 1)-2) are 30 units each, and 3) is 25 units.
(4) Students must attend all classes and final exam, and submitt all reports.

Related courses

  • CHM.C201 ： Introductory Quantum Chemistry

Prerequisites (i.e., required knowledge, skills, courses, etc.)

No prerequisites are necessary, but enrollment in the related course is desirable.

Contact information (e-mail and phone)    Notice : Please replace from "[at]" to "@"(half-width character).

mizuse[at]chem.titech.ac.jp, 03-5734-2264

Office hours

contact by email in advance to schedule an appointment.

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