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References: ods for the quantum mechanics and molecular
1. W.F. Smith and J. Hasemi. Foundation of Material mechanics. Description of molecular electronic
Science and Engineering, McGraw-Hill, 2011. structure and simulations. Computational
2. W.D. Callister and D.G. Rethwisch, Material techniques which include Hartree-Fock self-
Science and Engineering: An Introduction, Wiley, consistent-field (SCF), post Hartree-Fock
2014. technique, density functional theory (DFT),
3. R. Pampuch, An Introduction to Ceramics, semi-empirical, molecular mechanics, Monte
Springer, 2014 Carlo simulations and molecular dynamics with
4. J.M.D. Coey, Magentism and magnetic materials, application examples.
Cambridge University Press, 2012.
5. R. Rajinder, Electromagnetic, Mechanical, and Practical laboratory – Basic programming and
Transport Properties of Composite Materials, CRC practical computational chemistry software.
Press, 2015.
Assessment Weightage
Continuous assessment 50%
SIC3040 CHEMOMETRICS Summative assessment 50%

This course provides practical guide to the References:
common chemometric tools that being used to 1. Frank Jensen. (2017). Introduction to
solve data analysis problems. The topics cover is Computational Chemistry, Wiley Publisher
organized in two largely independent parts: 2. Errol G Lewars. (2016). Computational Chemistry:
Part I – experimental designs from single factor Introduction to the Theory and Applications of
designs to multiple factor designs Molecular and Quantum Mechanics, Springer.
Part II – pattern recognition techniques include 3. Peter Blado et al. (2012). Molecular Modelling:
principal component analysis and hierarchical Computational Chemistry Demystified, RSC
cluster analysis Publishing.
4. Hinchliffe, A. (2008). Molecular Modelling for
Assessment Weightage Beginners. John Wiley & Sons Ltd. UK.
Continuous assessment 50% 5. Young, David C. (2001). Computational Chemistry:
Summative assessment 50% A Practical Guide for Applying Techniques to Real
World Problems, John Wiley & Sons, Inc., New
References: York.
1. R.G. Brereton. Chemometrics: Data driven
extraction for science, 2nd ed. John Wiley & Sons:
UK, 2018. SIC3042 COLLOID CHEMISTRY
2. J.N. Miller and J.C. Miller. Statistics and
chemometrics for analytical Chemistry, 7th ed. Introduction to colloidal dispersion and types of
Pearson: UK, 2018. colloidal dispersions. Particles in the box and
3. D.C. Montgomery. Design and Analysis of colloid chemistry. Brownian motion, surface charge
Experiment, 9th ed. John Wiley & Sons: US, 2017. and colloidal stability. Particle size and fluid
4. M. Otto. Chemometrics: Statistics and Computer deformation. Viscosity, sedimentation and
Application in Analytical Chemistry, 3rd ed. Wiley- rheology. Definition of surface tension, surface
VCH: Germany 2017. tension measurement. Self-assembly colloids:
5. H. Rushing, A. Karl & J. Wisnowski Design and micelles, vesicles, emulsions and microemulsions.
Analysis of Experiments by Douglas Montgomery: Instrumentations in colloidal chemistry. Colloidal
A Supplement for Using JMP, SAS Institute: US, chemistry, nanoscience and nanotechnology.
2014.
Assessment Weightage
Continuous assessment 50%
SIC3041 COMPUTATIONAL CHEMISTRY Summative assessment 50%

Introduction to computers – history, elements in References:
computers, operating system, computers in 1. K. L., Mittal, P. Kuma. (Ed.) (2019). Emulsions,
chemistry, internet. Internet based chemistry – Foams, and Thin Films. Taylor & Francis Ltd.
introduction to web technologies useful in 2. H.A., Roque. (2017). Structure and Functional
chemistry, chemical databases, use of chemical Properties of Colloidal Systems, 1st Edition, CRC
web services. Press.
3. A., Fernandez-Nieves. (2016). Fluids, Colloids and
Introduction to computational chemistry – history Soft Materials: An Introduction to Soft Matter
and development, techniques, molecular Physics. Wiley.
mechanics and molecular simulations as well as 4. K. S., Birdi. (2015). Handbook of Surface and
application examples. Colloid Chemistry. 4th Edition. CRC Press.
5. J., Alexander. (2015). Colloid Chemistry. Andesite

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