- Academic Registry
Programme & Unit Catalogues

CH30240: Practical computational chemistry for management students

[Page last updated: 15 October 2020]

Follow this link for further information on academic years Academic Year: 2020/1
Further information on owning departmentsOwning Department/School: Department of Chemistry
Further information on credits Credits: 3      [equivalent to 6 CATS credits]
Further information on notional study hours Notional Study Hours: 60
Further information on unit levels Level: Honours (FHEQ level 6)
Further information on teaching periods Period:
Semester 2
Further information on unit assessment Assessment Summary: PR 100%
Further information on unit assessment Assessment Detail:
  • Practical (PR 99%)
  • Practical Attendance (PR 1%)
Further information on supplementary assessment Supplementary Assessment:
Like-for-like reassessment (where allowed by programme regulations)
Further information on requisites Requisites: Before taking this module you must take CH10009
Description: Aims:
The principal aims of this practical introduction to the use of computational packages for molecular modelling as tools for the solution of chemical problems are to:
* Provide an introductory experience in computational chemistry
* Introduce a range of techniques in molecular modelling and chemical IT
* Consolidate knowledge from lectures by hands-on visualisation and calculation
* Improve interpretive skills and report writing
* Enhance time management skills.

Learning Outcomes:
After studying this Unit, students should be able to:
* Build and manipulate computational molecular models to assist interpretation of chemical structure, bonding and properties
* Use computer packages to perform calculations to optimise molecular geometry, critically discuss the results in context.
* Apply and use software packages to draw simple chemical structures and to access a chemical database.

Practical skills (F, T, A), report writing (F, A), data analysis (F, A).

The exercises in this unit complement the material presented within the other parts of the chemistry programme. Using a software package molecular mechanics of six-numbered rings and molecular orbital calculations will be investigated. Specifically, qualitative MO theory and molecular vibrations; conjugation and colour; bonding in nickel complexes.
Further information on programme availabilityProgramme availability:

CH30240 is Compulsory on the following programmes:

Department of Chemistry
  • USCH-AFM07 : MSci(Hons) Chemistry with Management (Year 3)
  • USCH-AKM07 : MSci(Hons) Chemistry with Management with Industrial Placement (Year 4)


  • This unit catalogue is applicable for the 2020/21 academic year only. Students continuing their studies into 2021/22 and beyond should not assume that this unit will be available in future years in the format displayed here for 2020/21.
  • Programmes and units are subject to change in accordance with normal University procedures.
  • Availability of units will be subject to constraints such as staff availability, minimum and maximum group sizes, and timetabling factors as well as a student's ability to meet any pre-requisite rules.
  • Find out more about these and other important University terms and conditions here.