Computer for Chemists

Paper Code: 
CHY - 225
Credits: 
2
Contact Hours: 
30.00
Max. Marks: 
100.00
Objective: 
This course will help the students to learn the basics of computer in order to deal with chemical equations.
 
6.00
Unit I: 
Introduction to Computers and Computing
Basic structure and functioning of computers PC as an illustrative example; memory – RAM, ROM, IROM, EPROM, EEPROM, I/O devices – keyboard, mouse, printer, scanner, joystick, lightpen, digitizer, secondary storage-floppy disk, compact disk, DVD, computer languages (generation of languages) differences between different types OS, internet surfing through search engines.
 
4.00
Unit II: 
Introduction to Software
Word Processor: Formatting, Spell and rammer check,tables
MS Excel: Functions, charts, Autofill, Autosum, OLE
Presentation software: Creating a master slide, inserting images, running a slide show.
 
8.00
Unit III: 
Programming in C
Principles of programming, algorithms and flow charts, elements of the computer language, constants and variables, operations and symbols, expressions, arithmetic assignment statement, input and output format statement, termination statements
Advanced Programming in C
Branching statements such as IF or GO TO statement, logical variables, double precision variables, subscripted variables and dimensions, loops[while, for, do-while]
 
7.00
Unit IV: 
Applications in Chemistry- I
Development of small computer codes involving simple formulae in chemistry, such as van der Waals equation, pH titration, kinetics, radioactive decay; evaluation of lattice energy and ionic radii from experimental data. 
 
6.00
Unit V: 
Applications in Chemistry- II
C language to calculate the molecular weights of oganic 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.
 
Essential Readings: 
  1. Microcomputer Quantum Mechanics, Second Edition; J.P. Killingback and Adam Hilger Ltd., Bristol and Boston, 1985.
  2. quick basic Programming for Scientists and Engineers; Joseph H. Noggle; CRC Press, 1992.
  3. Meth Norton’s; Introduction to Computers; Fourth Edition; McGraw Hill, New York.
  4. Computers for Chemists; K.V. Rajoraman; Tata Megraw Hill Co. Ltd.; New Delhi; 1993.
 
Academic Year: 
2016-2017
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