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Module Detailed Information for [CM3296]
Academic Year : 2017/2018 Semester : 2
Correct as at 30 Mar 2018 04:27

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Module Information
Module Code :
CM3296 IVLE
Module Title : Molecular Modelling: Theory & Practice
Module Description : Fundamental concepts of molecular modelling; survey of computational methods; molecular mechanics and force fields; empirical and semi-empirical methods; Ab initio theory; basis sets; electron correlation methods; density functional theory; chemical visualization and graphics models; qualitative molecular orbital theory; potential energy surfaces and minimization' molecular dynamics and Monte-Carlo simulations; calculation of molecular properties (IR, UV, NMR and electron density distribution); use of molecular modelling software (Spartan and Gaussian); applications of modelling to chemical problems, modelling biomolecules: conformational analysis, QSAR, docking, ligand design.
Module Examinable : -
Exam Date : 08-05-2018 EVENING
Modular Credits : 4
Pre-requisite : CM2101
Preclusion : Nil
Module Workload (A-B-C-D-E)* : 1-1-3-2-2
Remarks : Nil
* A: no. of lecture hours per week
B: no. of tutorial hours per week
C: no. of laboratory hours per week
D: no. of hours for projects, assignments, fieldwork etc per week
E: no. of hours for preparatory work by a student per week


Lecture Time Table
Class TypeWeek TypeWeek DayStartEndRoom
SL1 LECTUREEVERY WEEKMONDAY12001400S14-0620,
SL1 LECTUREEVERY WEEKTHURSDAY12001400S14-0620,

Tutorial Time Table
Attention: The tutorial timetables could be updated from time to time. Students are advised to check regularly for the latest update on the change of tutorial timing.
Class TypeWeek TypeWeek DayStartEndRoom Iteration
MO1 TUTORIALEVERY WEEKMONDAY16001700S5-0223,
Available in Tutorial Balloting [Iteration 9].





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