Coming soon
Computer in Chemistry
Course Objectives :
The course aims to help the students learn the basics of computers, working on various productivity softwares in order to deal with text formatting, statistical analysis, presentations and writing programs for solving various chemical equations.
Course Outcomes (COs):
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COURSE |
Learning outcomes (at course level) |
Learning and teaching strategies |
Assessment Strategies |
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|---|---|---|---|---|
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Paper Code |
Paper Title |
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CHY 225 |
Computer in Chemistry |
The students will be able to-
CO73- learn the fundamentals of the computer system and its components. CO74-work on word processors and create well formatted documents. CO75-work on spreadsheets and employ basic functions, create charts, perform statistical analysis. CO76-work on presentation software and create effective presentations. CO77-learn C language and write programs for solving chemical equations. |
Interactive lectures
Group discussions
Tutorials
Quiz
Problem solving sessions
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Written test
Viva-voce
Group/Individual demonstrations
Semester end examination |
History of computers, basic structure of computers, generation of computers, computer languages and their types, types of memory – Primary and secondary, input and output devices, differences between various types of operating systems, internet surfing through search engines.
Word Processor Software: Formatting, inserting tables, track changes, comments.
Spreadsheet Software: Autofill option, charts, basic functions, statistical analysis through Excel- setting the dependent & independent variables , measures of central tendency & dispersion, correlation coefficient, regression analysis of straight line relationship (least square method), regression coefficient, and criteria for rejection of an observation: T- test.
Presentation software: Creating a master slide, inserting images and tables, running a slide show, object linking and embedding (OLE).
Google Drive: Working on Google Docs, Google Sheets, and Google slides.
Simulation Software: Introduction.
Principles of programming, algorithms and flowcharts, history of C language, constants and variables, data types, operations and symbols, expressions, arithmetic assignment statement, input and output format statement. Selection statements – if then else, nested if, switch case. Iterations and looping - for, while, do-while.
Development of small computer codes involving simple formulae in chemistry, such as vander Waals equation, pH titration, kinetics, radioactive decay; evaluation of lattice energy and ionic radii from experimental data.
Development of small computer codes to calculate the molecular weights of organic compounds, determination of percentages of element in an organic compound, determination of molecular weights of organic compounds by experimental methods, to calculate wavelength for conjugated dienes and enones.
Development of small computer codes to calculate bond order, electron density, Fukui functions at different atoms in simple molecules like methyl chloride, acetyl chloride, acetic acid, acetaldehyde, nitrobenzene. NBO analysis.
Programs for calculating simple properties of organic molecules.
- Computer Fundamentals; Fourth Edition; P. K. Sinha and P. Sinha, BPB Publications, 2007.
- Introduction to Computers; Seventh Edition; P. Norton; Tata Macgraw Hill Education Private Ltd.; 2013.
- Programming in ANSI C; Sixth Edition; E. Balagurusamy; Tata Macgraw Hill Education (India) Private Ltd.; 2014.
