5368 - 電腦化學

Computational Chemistry

教育目標 Course Target

理解並掌握量子統計基本原理､概念，計算方法及其在計算化學中的應用，實際電腦操作等。

Understand and master the basic principles and concepts of quantum statistics, calculation methods and their applications in computing chemistry, actual computer operations, etc.

參考書目 Reference Books

1. Register and download Quantum Orca 5.0.4 for Linux, Microsoft Windows, or Mac OS:
https://orcaforum.kofo.mpg.de/app.php/portal
Orca online documents: https://www.orcasoftware.de/tutorials_orca/
2. Dirac, Principle of Quantum Mechanics, 1951;
3. Physical Chemistry, 11th Ed., Peter Atkins and Julio De Paula, Oxford, 2010;
or Physical Chemistry, 3nd Ed., Thomas Engel and Philip Reid, Prentice Hall, 2010;
or Physical Chemistry, 3rd Ed., Robert G. Mortimer, Elsvier, 2008, etc.
4. http://gaussian.com
5. http://webbook.nist.gov/chemistry
6. http://distrowatch.com

1. Register and download Quantum Orca 5.0.4 for Linux, Microsoft Windows, or Mac OS:
https://orcaforum.kofo.mpg.de/app.php/portal
Orca online documents: https://www.orcasoftware.de/tutorials_orca/
2. Dirac, Principle of Quantum Mechanics, 1951;
3. Physical Chemistry, 11th Ed., Peter Atkins and Julio De Paula, Oxford, 2010;
or Physical Chemistry, 3nd Ed., Thomas Engel and Philip Reid, Prentice Hall, 2010;
or Physical Chemistry, 3rd Ed., Robert G. Mortimer, Elsvier, 2008, etc.
4. http://gaussian.com
5. http://webbook.nist.gov/chemistry
6. http://distrowatch.com

評分方式 Grading

評分項目
Grading Method		 配分比例
Percentage		 說明
Description
期中考試
Midterm exam
 50 包括書面和电脑操作
Exercises, Projects, Reports and/or Final Exam
Exercises, Projects, Reports and/or Final Exam
 50 平時出席，練習/問答/考試或課題報告等

授課大綱 Course Plan

點擊下方連結查看詳細授課大綱
Click the link below to view the detailed course plan

查看授課大綱 View Course Plan

相似課程 Related Courses

無相似課程 No related courses found

課程資訊 Course Information

基本資料 Basic Information
  • 課程代碼 Course Code: 5368
  • 學分 Credit: 3-0
  • 上課時間 Course Time:
    Monday/2,3,4[CH209]
  • 授課教師 Teacher:
    劉光華
  • 修課班級 Class:
    化學系3,4,碩博1,2
  • 選課備註 Memo:
    大三，大四可選修。
選課狀態 Enrollment Status
目前選課人數 Current Enrollment: 21 人
請先登入才能進行選課登記
Please login first

交換生/外籍生選課登記

請點選上方按鈕加入登記清單，再等候任課教師審核。
Add this class to your wishlist by clicking the button above.