Module Details |
The information contained in this module specification was correct at the time of publication but may be subject to change, either during the session because of unforeseen circumstances, or following review of the module at the end of the session. Queries about the module should be directed to the member of staff with responsibility for the module. |
Title | FURTHER KEY SKILLS WITH MOLECULAR MODELLING (BSC.) | ||
Code | CHEM380 | ||
Coordinator |
Dr JW Gaynor Chemistry J.W.Gaynor@liverpool.ac.uk |
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Year | CATS Level | Semester | CATS Value |
Session 2022-23 | Level 6 FHEQ | Whole Session | 15 |
Pre-requisites before taking this module (or general academic requirements): |
Aims |
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To enhance the development of student employability skills and introduce students to molecular modelling techniques using examples from inorganic and organic chemistry. |
Learning Outcomes |
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(LO1) By the end of the employability section of the course, students should be able to demonstrate both a familiarity with, and an understanding of, the importance of transferable skills to the work place. |
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(LO2) By the end of the modelling section of the course students should have a qualitative understanding of ab initio, semi-empirical and empirical models, knowing which model is suitable for a particular type of problem. |
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(LO3) By the end of the modelling section of the course students should be able to predict the ground state energy and structure of isolated molecules (not too complicated) and estimate equilibrium constants (ΔH = ΔE) for simple reactions |
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(LO4) By the end of the modelling section of the course students should be able to rationalise some aspects of reactivity (charge density, frontier orbitals). |
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(LO5) By the end of the modelling section of the course students should have some experience of modelling intermolecular forces and complexes. |
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(S1) Teamwork |
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(S2) Communication skills |
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(S3) Lifelong learning skills |
Teaching and Learning Strategies |
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Teaching Method 1 - Lecture Teaching Method 2 - Tutorials and workshops Self-Directed Learning Description: Self-directed time should be us ed to complete the exercises outlined in VITAL and group activities. |
Syllabus |
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Semester 1: E mployability skills Lecture material (not necessarily in the order described below) 1. Introduction to the CHEM380 employability skills resources in VITAL (given in welcome week) 2. Introduction to the facilities of the Careers Service 3. CV preparation and interview technique 4. Good and bad practice in job interviews and oral presentations 5. MSc in Advanced Sciences at the University of Liverpool & Masters more generally 6. Intellectual property 7. Peer review and using PeerMark (linked to summative peer review assignment) 8. Reflective practices (linked to summative reflective assignment) 9. Job applications, the selection process and a look at the chemical industry (internal/external speaker - content varies but usually chemical industry related) 10. A presentation from industry (external speaker - content varies. Often science related/wider talk) 11. A presentation from teaching (external speaker - content varies) Tutorial/W orkshop Sessions (weeks may vary) Week 2: Evaluation of job application material (group work) Week 3: Preparation, delivery and critique of a four-minute presentation Week 4: a) Assessment centres; b) intoduction of group project (group work) Week 6/10: Group project (preparation and delivery) VITAL exercises These are all linked to the various lectures, workshops and tutorials. They include mini-employability tasks (possibly including, but not restricted to: surveys; visiting the careers service; CV preparation; interview scenario critique; psychometric test; etc), reflective pieces, application/interview preparation exercises and peer-to-peer feedback. Semester 2: Modelling Lecture / Workshop material 1a. Introduction:summary of techniques covered in the course, and sources for further reading. 1b. Quantum chemical methods 1: HF-SCF, basis sets. 2. Quantum chemical methods 2: Geometry optimisation, HF limit, CI, MP2, DFT. 3. Semi-empirical and empirical meth ods: AM1, PM3, conformational analysis. 4/5. Modelling non-covalent interactions: van der Waals, electrostatics, aromatic stacking, hydrogen bonding, cooperativity. |
Recommended Texts |
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Reading lists are managed at readinglists.liverpool.ac.uk. Click here to access the reading lists for this module. |
Teaching Schedule |
Lectures | Seminars | Tutorials | Lab Practicals | Fieldwork Placement | Other | TOTAL | |
Study Hours |
16 |
15 |
31 | ||||
Timetable (if known) | |||||||
Private Study | 119 | ||||||
TOTAL HOURS | 150 |
Assessment |
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EXAM | Duration | Timing (Semester) |
% of final mark |
Resit/resubmission opportunity |
Penalty for late submission |
Notes |
CONTINUOUS | Duration | Timing (Semester) |
% of final mark |
Resit/resubmission opportunity |
Penalty for late submission |
Notes |
Employability Standard UoL penalty applies for late submission. This is not an anonymous assessment. Assessment Schedule (When) :Semester 1 | 0 | 50 | ||||
Modelling Standard UoL penalty applies for late submission. This is not an anonymous assessment. Assessment Schedule (When) :Semester 2 | 0 | 50 |