course-details-portlet

KJ1041

Physical chemistry: molecular structure

Choose study year
Credits 7.5
Level Foundation courses, level I
Course start Autumn 2020
Duration 1 semester
Language of instruction Norwegian
Location Trondheim
Examination arrangement Portfolio assessment and Written exam , Oral examination

About

About the course

Course content

The course consists of a theoretical and a practical part.

Theoretical part:
- Introduction to quantum mechanics via simple model systems
-Connection between quantum mechanics and thermodynamics
- Atomic structure
- Born-Oppenheimer approximation and molecular orbital theory
- Pauli principle and electron spin
- Symmetry of molecules and elementary group theory
- Electronic transitions
- Theoretical background for rotational, vibrational and electronic spectroscopy
- Chemical reactions and chemical kinetics

Practical part:
-Use of software to quantum chemical calculations

Learning outcome

After finishing the course, the student is expected to:
- Account for fundamental principles in quantum chemistry, such as energy levels and structure of atoms and molecules
- Account for and the application of molecular orbital models.
- Connect various energies of the molecule to spectroscopi methods
- Apply quantum chemical methods to describe experimental observables such as molecular strcuture and heat capacity
- Apply elementary group theory to describe molecular symmetry and properties like dipolmoments and allowed/forbidden transitions.
- Apply and solve simple kinetic models for elementary processes
- Apply numerical modelling of molecular properties by use of python programming and existing qjuantum chemical softwares.

Learning methods and activities

Lectures (4 hours per week)), mandatory exercises (2 hours per week), two semester exams. 8 of 12 exercises have to be approved before final examination. Several exercises and the semester exams require the use of python programming and application of quantum chemical software.

The semester exams will count for 5% of the grade in the course each. The results for the course will be assigned a letter grade, and the written exam counts for 90% of the grade. For re-sit exam or exam during a term without lectures in this course, written examination may be changed to oral examination.

Compulsory assignments

  • Laboratory course
  • Exercises

Further on evaluation

Only final written exam (4 hours) must be retaken.

Course materials

P.W. Atkins: Physical Chemistry, 11. ed., Oxford Univ. Press, Oxford, 2018. Lecture notes and exercises.

Credit reductions

Course code Reduction From
TKJ4166 7.5 sp
TKJ4160 3 sp
KJ1040 2 sp
This course has academic overlap with the courses in the table above. If you take overlapping courses, you will receive a credit reduction in the course where you have the lowest grade. If the grades are the same, the reduction will be applied to the course completed most recently.

Subject areas

  • Materials Science and Solid State Physics
  • Physical Chemistry
  • Chemical Engineering
  • Chemistry

Contact information

Course coordinator

Lecturers

Department with academic responsibility

Department of Chemistry

Examination

Examination

Grade: Letters

Examination arrangement: Portfolio assessment and Written exam

Ordinary examination - Autumn 2020

Mappevurdering
Weighting 5/100 Examination aids ALLE Duration 2 weeks Exam system Inspera Assessment
Mappevurdering
Weighting 5/100 Examination aids ALLE Duration 2 weeks Exam system Inspera Assessment
Hjemmeeksamen (1)
Weighting 90/100 Date Release 2020-12-18
Submission 2020-12-18
Time Release 09:00
Submission 13:00
Duration 4 hours Exam system Inspera Assessment
  • Other comments
  • 1) Merk at eksamensform er endret som et smittevernstiltak i den pågående koronasituasjonen. Please note that the exam form has changed as a preventive measure in the ongoing corona situation.

Examination arrangement: Oral examination

Ordinary examination - Spring 2021

Oral exam (2)
Weighting 100/100 Duration 1 hours
  • Other comments
  • 2) Merk at eksamensform er endret som et smittevernstiltak i den pågående koronasituasjonen. Please note that the exam form has changed as a preventive measure in the ongoing corona situation.