COMPUTER FOR CHEMISTS

Paper Code: 
CHY 225
Credits: 
2
Contact Hours: 
30.00
Max. Marks: 
100.00
Objective: 

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):

Course Outcomes

Teaching  Learning Strategies

Assessment Strategies

  
 

On completion of this course, students will be able to-

CO75- discuss the fundamentals of the computer system and its components.

CO76-work on word processors and create well formatted documents.

CO77-work on spreadsheets and employ basic functions, create charts, perform statistical analysis.

CO78-work on presentation software and create effective presentations.

CO79- write programs in C language for solving chemical equations.
  • Interactive lectures
  • Group discussions
  • Tutorials
  • Quiz
  • Problem solving sessions

 

 
  • Written test
  • Viva-voce
  • Group/Individual demonstrations

 

 

  

 

4.00
Unit I: 
Introduction to Computers and Computing

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.

6.00
Unit II: 
Introduction to Software Packages

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.

 

8.00
Unit III: 
Programming in C

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.

6.00
Unit IV: 
Applications in Chemistry- I

Development of small computer codes involving simple formulae in chemistry, such as Vander Waals equation, Henderson Hasselbach equation, integrated rate equation for first and second order reaction, radioactive decay, evaluation of lattice energy and ionic radii from experimental data.

6.00
Unit V: 
Applications in Chemistry- II

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, to calculate bond order, electron density.

Essential Readings: 
  • Computer Fundamentals; Fourth Edition; P. K. Sinha and P. Sinha, BPB Publications, 2007.
  • Introduction to Computers; Seventh Edition; P. Norton; Tata McGraw Hill Education Private Ltd.; 2013.
  • Programming in ANSI C; Sixth Edition; E. Balagurusamy; Tata McGraw Hill Education   (India) Private Ltd.; 2014.

 

References: 

SUGGESTED READINGS:

  • H.M.Deitel & P.J.Deitel, “How to program in ‘C’”, 5rd Edition, Pearson Education, 2005.
  • S. Lipschutz, “C Programming”, Schaum’s outline series, Tata McGraw Hill Edition.
  • Vikas Thada “C Programming Simplified” ashirwad publication.

e-RESOURCES:

 

Academic Year: 
2022-2023
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