LOYOLA COLLEGE (AUTONOMOUS), CHENNAI – 600 034
M.Sc. DEGREE EXAMINATION – CHEMISTRY
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THIRD SEMESTER – NOV 2006
CS 3902 – COMPUTERS IN CHEMISTRY
Date & Time : 03-11-2006/9.00-12.00 Dept. No. Max. : 100 Marks
PART-A
ANSWER ALL. 10X2=20
1.What is identifier?
2.Differentiate between if and else if statement.
3.What is reserved words?
4.What is the purpose of math.h?
5.Write the syntax of for loop.
6.Write the Heats of reactions using kirchoff’s equations.
7.What is Beer-lambert’s law?
8.What is the purpose to use union?
9.What are the two woodward-hoffmann rules?
10.Define structure?
PART-B
ANSWER ALL. 5X8=40
11.a)Brief about contents of c program?
(or)
b)Differentiate between while and do…while control statements.
- a) Explain.
- i) structure and union with example.
ii)differentiate structure and union.
(or)
b)Write the C program to find the Gibbs free energy.
- a)Write a C program to determine the constants a,b,d and Axial Ratio.a’:b’:c’ for crystals?
(or)
b)Write a program in C to determine the roots of a quadratic equation?
- a) Write a C program to determination of electronegativity of an atom from bond energy data using Pauling’s Relation?
(or)
b)Explain and write a C program to calculation of wavelength maximum for conjugated dienes and enones.
- a)Write a C program to interconvert units of molecular weight of a macromolecular?
(or)
b)Explain Glucose and Titrimetric methods and write corresponding C program?
PART-C
ANSWER ANY TWO QUESTIONS. 2X20=40
- Explain the control structures with examples.
- Describes the application of rotation and partition and write the corresponding C program?
- a) Explain and write a c program to huckel molecular orbital calculations of delocalisation
energy of butadiene using group theory?
b)Write a c program for find de-brogly wavelength?