Loyola College Computers In Chemistry Question Papers

Loyola College M.Sc. Computer Science Nov 2006 Computers In Chemistry Question Paper PDF Download

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                        LOYOLA COLLEGE (AUTONOMOUS), CHENNAI – 600 034

M.Sc. DEGREE EXAMINATION – CHEMISTRY

AK 19

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.

  1. a) Explain.
  2. i) structure and union with example.

ii)differentiate structure and union.

(or)

b)Write the C program to find the Gibbs free energy.

  1. 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?

  1. 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.

  1. 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

  1. Explain the control structures with examples.
  2. Describes the application of rotation and partition and write the corresponding C program?
  3. 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?

 

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Loyola College M.Sc. Chemistry April 2008 Coordination Chemistry Question Paper PDF Download

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LOYOLA COLLEGE (AUTONOMOUS), CHENNAI – 600 034

M.Sc. DEGREE EXAMINATION – CHEMISTRY

GH 56

 

THIRD SEMESTER – APRIL 2008

CH 3802/ 921 – COORDINATION CHEMISTRY

 

 

 

Date : 29-04-08                  Dept. No.                                        Max. : 100 Marks

Time : 1:00 – 4:00

 

Part – A

Answer all the questions                                                                  (10 x 2 = 20)

 

  1. What are polydentate ligands? Give an example.
  2. What is the ground term of 3d7 configuration?
  3. Why the magnetic moment of Co(II) octahedral complexes are much higher than that of tetrahedral complexes?
  4. Explain why CrO42- ion with d0 configuration is coloured?
  5. What are Π-acceptor ligands? Give two examples.
  6. Explain SN1CB mechanism with an example.
  7. What is meant by hapticity of a ligand? How is it designated?
  8. Differentiate the types of cytochromes.
  9. What are cryptands? Mention any one application.
  10. What is Wilkinson catalyst? What type of reaction can make use of this catalyst?

 

Part – B

Answer any eight questions                                                      (8 x 5  = 40)

  1. What is tetragonal distortion? Which dn configurations lead to strong Jahn teller distortion in octahedral and tetrahedral complexes?
  2. What are the basic postulates of valence bond theory? How does valence bond theory explain the geometry and magnetic properties of (i) [Co(NH3)6]3+ and (ii) [CoF6]3-
  3. Explain how optical rotatory dispersion study is useful to determine the absolute configuration of chiral complexes.
  4. Discuss the bonding in ferrocene on the basis of molecular orbital energy level diagram.
  5. Explain the variations in the stretching frequency of the isoelectronic species, Cr(CO)6, V(CO)6– and Mn(CO)6+.
  6. Explain the trans effect in the substitution reactions of square planar complexes.
  7. Explain the fluxional isomerism with two examples.
  8. Explain the crystal structures of Fe3O4, ZnFe2O4 as spinel or inverse spinel
  9. Explain the synergic effect of metal-ligand bonding in metal carbonyls.
  10. Apply Wade’s rule to predict the geometry of

a)[Fe5(CO)15C]         b) [h5C5H5RhFe3(CO)11]

  1. Briefly explain the significances of metal complexes in nitrogen fixation
  2. Write short notes on
  3. a) Wacker’s process b) Fischer Tropsch process

 

Part – C

Answer any four questions.                                                          (4 x 10 = 40)

  1. Explain the d orbital spilitting of square planar complexes using crystal field theory. Why does the metal ion with d8 configuration in a strong field form square planar complexes?
  2. Explain Why Cl– acts as a weak ligand whereas CN– acts as strong ligand in octahedral transition metal complexes with the help of MO theory.
  3. Explain the features of Tanabe- Sugano and Orgel diagram. Construct orgel diagram for d3and d7, tetrahedral and octahedral complexes.
  4. Explain the principles involved in the Mossbauer spectral analysis of metal complexes and explain how do the Mossbauer spectra of K4[Fe(CN)6] and K3[Fe(CN)6] differ.
  5. a) Discuss in detail the mechanisms of outer and inner sphere electron transfer in metal complexes.                                                                                  (10)
  6. b) Why is the electron transfer in the system [Co(NH3)6]2+ – [Co(NH3)6]3+ slower than that in the system [Fe(CN)6]4- and [Fe(CN)6]3- .                        .
  7. Describe the essential structure of haemoglobin and explain its cooperativity in its oxygenation.

 

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Loyola College M.Sc. Chemistry April 2008 Computers In Chemistry Question Paper PDF Download

by

LOYOLA COLLEGE (AUTONOMOUS), CHENNAI – 600 034

BH 28

M.Sc. DEGREE EXAMINATION – CHEMISTRY

THIRD SEMESTER – APRIL 2008

    CS 3902 – COMPUTERS IN CHEMISTRY

 

 

 

Date : 05/05/2008            Dept. No.                                        Max. : 100 Marks

Time : 9:00 – 12:00

PART – A

Answer ALL of the following:                                                                     10 x 2 = 20

(Note: program should  not be written for part – A)

  1. Define constant. What are the types of constants?
  2. Define structure.
  3. Name the different control statements.
  4. Convert into C expression

P(x)=F0 + 2ΣFhcos(2Πhx)

  1. Convert into C expression
    1. X1 – X2 = 0.18(E1-(E2 * E3)1/2)1/2
  2. Write a loop to calculate the concentration of n different system.
  3. Write a for loop to calculate the molecular weight of n compound.
  4. Write a switch case to determine the method using Woodward – Hoffman rule for electrolytic reactions
  5. Write any four application of computer in chemistry.
  6. What is the use of header file?

PART – B

Answer ALL of the following:                                                   5 x 8 = 40

11.a. What is an array? How will you declare an array. Write a C program to store n numbers in an

array.

(OR)

  1. Explain the conditional operator with an example.

 

12.a.Write a C program to find the wavelength using Debroglie equation.                                                                                              (OR)

  1. Write a C program to calculate Gribb’s free energy function.

 

13.a. Write a C program to determine the solubility of sparingly soluble salt.

(OR)

  1. Write a C program to determine the Half life and average life.

 

 

 

 

14.a. Write  C program to calculate the  wavelength for conjugate diene.

(OR)

  1. Write a C program to calculate the molecular weight.

 

15.a Write a C program to calculate the amount of calcium in a given substance

using Titrimetric method.

(OR)

  1. Write a C program to determine proteine using Biuret method.

 

 

PART – C

Answer any TWO of the following:                                          2 X 20 = 40

 

16.a. Explain in detail the various  operators in C.

 

17.a. Check the condition for secular equation for Ethylene. Write a C program for

the same.

  1. Write a C program using functions to calculate
  2. Binding energy
  3. Half and Average life .

 

18.a. Write a C program to calculate the molecular weight .

  1. Write a C program to calculate the Glucose level using Orthotoludine method.

 

 

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