Unique Paper Code : 32177903

Name of the Paper : DSE- Applications of Computers in Chemistry

Name of the Course : B.Sc. (Hons.) Chemistry

Semester : VI

Duration : 3 hours

Maximum Marks : 75

Instructions for Candidate

1. Attempt any FOUR questions in all.

2. Each question carries 18.75 marks.
3. Preferably attempt all parts of a question together.

1
1. Attempt all parts of the question.
(a) Write the full form of the following:
(i) ROM
(ii) BCD
(iii) CPU
(iv) www
(v) ALU

(b)Write the following algebraic expression in BASIC:

𝑐𝑎
(i) 𝐾=
1−𝑎
(ii) k = Aexp(−Ea/RT)
2 𝑛𝜋𝑥
(iii) 𝑋 = √𝑎 sin ( )
𝑎

(iv) x = 𝑛(𝑥12 − 𝑥22 )

𝑅𝑇 [𝑃]
(v) E = E0 − 𝑛𝐹 ln [𝑅]

(c) State whether the following are valid or invalid variable names? Identify the error if
any:

(i) N$1
(ii) AB(1)
(iii) X-Y
(iv) NEW
(v) SUM
(6.25, 6.25, 6.25)

2. (a) Convert the following:

(i) 42310 to (?)2
(ii) 0.37510 to (?)2
(iii)(100110.0011010111)2 to (?)10

(b) Identify the error, if any, in the following constants and correct them.
(i) 51,284
(ii) 46.25
(iii) New “Delhi-110001”
(iv) 1.85×E−5
(v) “Computer”
(vi) $100.75

(c) Write a program in BASIC to separate the odd and even numbers from the following
list: 68, 45, 42, 97, 85, 33, 54.
(6, 6, 6.75)
3. (a) Explain the meaning of the following error messages:
(i) For without next
(ii) Division by zero
(iii) Subscript out of range

2
 (b) Write the BASIC statements to get the following output:
(i) A line from top left corner to bottom right corner of the screen
(ii) An integer not greater than 4.6
(iii) Clear the output screen
(c) What are library functions? Write the use of the following functions. Give one example:
(i) SGN(X)
(ii) FIX(X)
(iii) SIN(X)
(iv) LOG (X)
(6, 6, 6.75)

4. (a) Give the output of the following:

(i) 10 DIM A$(6), A(6)
20 FOR I= 1 TO 6
30 READ A$(I), A(I)
40 NEXT I
50 FOR I= 6 TO 1 STEP -1
60 PRINT A(I); A$(I)
70 NEXT I
80 DATA APPLE, 20, GRAPES, 22, MANGO, 25, MELON, 19
90 END

(ii) 10 A$ = “STAY HOME STAY SAFE”

20 B$ = LEFT $(A$, 4)
30 C$ = RIGHT $(A$, 4)
40 D$ = MID $(A$, 6, 4)
50 P$ = B$ + “-” C$
60 Print B$, C$, D$ and P$
70 END

(b) Write a program in BASIC to read the following data and get the output as a list
showing the names and their respective marks in the decreasing order of marks.

Name Ajay Ramesh John Sara Radha Lara

Marks 35 38 44 41 36 42

(c) Explain the following with examples:

(i) Assembly level language

(ii) Syntax error
(iii) Operating system
(6, 6, 6.75)

3
5.
(a) Identify and correct the errors in the following program:

10 REM Calculation of mean

20 INPUT “NO. OF DATA POINTS; N
30 FOR I = 1 TO X
40 READ X(I)
50 S = 0
50 S = S+X
60 NEXT J
70 MEAN = S/N
80 PRINT MEAN
90 DATA 4.5, 4.2, 4.6, 4.3, 4.7
100D

(b) Identify the error in each step, if any, and write the correct program to calculate the
real roots.

10 REM CALCULATE ROOTS OF A QUADRATIC EQUATION

20 INPUT A$, B$, C$
30 D = B^2 – 4AC
40 IF D < 0 THEN ELSE 50
50 E = SQR(D)
60 R1 = -B+E/2*A : R2 = -B-E/(2*A)
70 PRINT R1, R2
80 PRINT “NO REAL ROOTS”
90 END

(c) Write a user-friendly program in BASIC to plot a graph of a particle in 1-D box of
length 10 and quantum number, n = 2.

(6, 6, 6.75)

6 (a) Write a program in BASIC to print matrix C as a sum of the following two matrices
A and B:
1 2 3 3 2 1
A= 5 4 6 and B= 6 5 4
7 8 9 9 8 7
(b) Write short notes on the following:
(i) Newton Raphson’s method to determine the root of a polynomial equation.
(ii) Hierarchy of mathematical operations in BASIC

(c) How many graphic screens are available in BASIC? Which one of the screens has
higher resolution? Write the command to change from text screen to graphics screen.

4
 How many rows and columns of pixels are present in all the graphics screens of
BASIC? Which of the following commands work only in graphic screen of QBASIC?
(i) VIEW (ii) WINDOW (iii) LOCATE (iv) CLS (v) PSET (vi) REM (vii) LINE

(6, 6, 6.75)