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Module Detailed Information for [CM3296]
Academic Year : 2018/2019 Semester : 2
Correct as at 21 Feb 2019 05:00

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Module Information
Module Code :
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 : 10-05-2019 AM
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

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
1 TUTORIAL3,4,5,6,7,8,9,10,11,12,13WEDNESDAY800900S16-0309,
Available in Tutorial Balloting [Iteration 9].

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