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SDÜ Education Information System Course Content
Programme
Graduate School of Natural and Applied Sciences Physics
Course Information
Course Unit Code
Course Unit Title
Credit Theoretic
Credit Pratic
Credit Lab/A
Credit Total
Credit Ects
Semester
01FZK6147
Quantum Theory of Atoms in Molecules
3.00
0.00
0.00
3.00
6.00
1
Course Information
Language of Instruction
Turkish
Type of Course Unit
Elective
Course Coordinator
Assistant Professor Dr. Ahmet TOKATLI
Course Instructors
3-Ahmet TOKATLI
Course Assistants
 
Course Aims
Learning of quantum theory of atoms in molecules
Course Goals
To learn basic principles of relevant to quantum theory of atoms in molecules
To explain properties of molecular crystals and complexes by means of quantum thoery of atoms in molecules
To explain aromaticity of molecules by means of quantum theory of atoms in molecules
To compare relationships between quantum theory of atoms in molecules and the interaction energies of different kinds of hydrogen bonds
Learning Outcomes of The Course Unit
To describe electron density function in molecules
To describe critical points in molecules
To discuss energy densities at the bond critical points
To learn bond properties related with topological parameters derived from quantum theory of atoms in molecules
To use AIMALL package programme
Course Contents
The topology of the electron density, The bond and virial paths, Bond properties, The electron density at the BCP, The Laplacian of the electron density, The bond ellipticity, Energy densities at the BCP, Electron delocalization between bonded atoms, atomic properties, Atomic contribitions to vibrational infrared absoption intensities, Atomic contributions to magnetizabilities of closed-shell molecules, ELF topology, Aromaticity analysis by means of the quantum theory of atoms in molecules, AIMALL package programme.
Prerequisities and Co-requisities Courses
 
Recommended Optional Programme Components
 
Mode Of Delivery
 
Level of Course Unit
 
Assessment Methods and Criteria
ECTS / Table Of Workload (Number of ECTS credits allocated)
Studies During Halfterm
Number
Co-Efficient
Activity
Number
Duration
Total
Visa
1
60
Course Duration (Excluding Exam Week)
14
3
42
Quiz
1
20
Time Of Studying Out Of Class
14
3
42
Homework
1
20
Homeworks
4
10
40
Attendance
0
0
Presentation
0
0
0
Application
0
0
Project
0
0
0
Lab
0
0
Lab Study
0
0
0
Project
0
0
Field Study
0
0
0
Workshop
0
0
Visas
1
20
20
Seminary
0
0
Finals
1
25
25
Field study
0
0
Workload Hour (30)
30
TOTAL
100
Total Work Charge / Hour
169
The ratio of the term to success
50
Course's ECTS Credit
6
The ratio of final to success
50
 
TOTAL
100
 
Recommended or Required Reading
Textbook
1) Bader FW (1994) Atoms in Molecules: A Quantum Theory. Clarendon Press,Oxford

2)Matta CF, Boyd RJ (Eds.) (2007) The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design. Wiley-VCH, Weinheim

3)Keith TA (2010) AIMAll program Version 10.12.11. http://aim.
Additional Resources
Not avaiable
Material Sharing
Documents
Not avaiable
Assignments
Not avaiable
Exams
Not avaiable
Additional Material
Not avaiable
Planned Learning Activities and Teaching Methods
Lectures, Practical Courses, Presentation, Seminar, Project, Laboratory Applications (if necessary)
Work Placements
As with any other educational component, credits for work placements are only awarded when the learning outcomes have been achieved and assessed. If a work placement is part of organised mobility (such as Farabi and Erasmus), the Learning Agreement for the placement should indicate the number of credits to be awarded if the expected learning outcomes are achieved.
Program Learning Outcomes
No
Course's Contribution to Program
Contribution
1
reach common knowledge of a study subject by scientific research, gain deep knowledge about the subject and to evaluate and interpret it in practice
5