2017 Exercise in Computational Chemistry and Chemical Information 1

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Academic unit or major
Undergraduate major in Chemistry
Uekusa Hidehiro  Ohmori Ken  Sekine Akiko  Ueno Kyouko  Eguchi Tadashi  Kudo Fumitaka  Takaya Jun  Ando Yoshio  Takikawa Hiroshi  Sase Shohei  Miyanaga Akimasa  Takahashi Kohei 
Class Format
Media-enhanced courses
Day/Period(Room No.)
Course number
Academic year
Offered quarter
Syllabus updated
Lecture notes updated
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Course description and aims

Recent chemistry research requires an information search technique from various databases. In this course, students learn about major chemical databases, and about the method to search them via actual search exercise. Especially, SciFinder, Online journal search, Cambridge Structure Database are introduced. Also, as a calculation technique, crystal structure analysis is exercised.

Student learning outcomes

Through the series of exercises, students learn about the major chemical databases, and about the database search techniques. Crystal structure analysis calculation technique is also exercised.


computational chemistry SciFinder database Crystal structure

Competencies that will be developed

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

Class flow

Introduction lecture, and exercise using computer system is followed.

Course schedule/Required learning

  Course schedule Required learning
Class 1 SciFinder Scholar 1 Exercise problems are given in this class.
Class 2 SciFinder Scholar 2 Exercise problems are given in this class.
Class 3 Online Journals Exercise problems are given in this class.
Class 4 Cambridge Structure Database 1 Exercise problems are given in this class.
Class 5 Cambridge Structure Database 2 Exercise problems are given in this class.
Class 6 Crystal structure analysis 1 Exercise problems are given in this class.
Class 7 Crystal structure analysis 2 Exercise problems are given in this class.



Reference books, course materials, etc.

None. Supplemental materials are given in the class.

Assessment criteria and methods


Related courses

  • CHM.D201 : Organic Chemistry I
  • CHM.D202 : Organic Chemistry II
  • CHM.D301 : Organic Chemistry III
  • CHM.D331 : Organic Synthesis
  • CHM.B333 : Crystal Chemistry

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

The following basic knowledge and skills are helpful for this class:
1. Organic Chemistry
2. Crystal Chemistry
3. Having a login account of Tsubame

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