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2014/5 |
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Department of Chemistry |
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6 |
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Honours (FHEQ level 6) |
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Semester 2 |
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CW 50%, PR 50% |
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Like-for-like reassessment (where allowed by programme regulations) |
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Before taking this unit you must take CH30186. This unit is only available to students on MSci programmes in Natural Sciences. |
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Aims: To build upon prior theoretical knowledge of chemistry by: * developing computational skills essential for advanced laboratory work in the subject; * consolidating knowledge from lectures by hands-on visualisation and calculation; * improving interpretive skills and report writing. 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, determine atomic charges and electrostatic potentials, display molecular orbitals and normal modes of vibration, and conduct molecular dynamics simulations; * use a chemical-structure drawing program and the SciFinder database; * communicate results in a variety of formats. Skills: Laboratory skills: manipulation, observation (T, F, A), problem solving (T, F, A), scientific writing (F, A), independent working (F), oral examinations (F, A). Content: A variety of experiments and exercises in computational (C) chemistry will be undertaken according to a plan determined by the student's prior knowledge and experience of I, O and P, scheduling criteria, and by what work will have been undertaken previously in CH30186. An independent project using computational chemistry methods will consolidate both material learned in lectures but also in the computational practical classes. |
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CH30187 is Optional on the following programmes:Programmes in Natural Sciences
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