Email Id Date Of Join 21/07/2014
Designation Assistant Professor Mobile No 8920115079
Address 901, block F1b, Samridhi apartment, sector 18b, Dwarka, Delhi 110078
Web Page
Educational Qualifications
Degree Institution Year
PhD University of Delhi 2012
M.Phil Chemistry University of Delhi 2009
M.Sc. Chemistry University of Delhi 2007
B.Sc.(H) Chemistry University of Delhi 2005
Career Profile
Administrative Assignments
Areas of Interest / Specialization
Computational Chemistry and Physical Chemistry
Subjects Taught
Inorganic Chemistry, Physical Chemistry, Analytical Chemistry and Environmental Chemistry
Research Guidance
Research guidance undertaken: 1. 10 students under Innovation Project 2015-16 2. 06 students under DBT Summer Reasearch Project
Publications Profile
Research papers in reputed International journals and Two books: 1. Quantum Chemistry:Classical to Computational ( Manakin Publishers) 2. NTA CSIR UGC NET/SET Book for Chemical Sciences ( Pearson)
Conference Organization/ Presentations (in the last three years)
Research Projects (Major Grants/Research Collaboration)
Innovation Project 2015-16
Awards and Distinctions
University Topper (with distinction) M.Phil Chemistry, University of Delhi 2009
Association With Professional Bodies
ISAS- Delhi Chapter, PEHAL
Other Activities
Convenor Antardhwani (DDU College) 2015
Assignment, Notes for Students
B.Sc. (Hons.) CHEMISTRY VIth semester Applications of Computers in Chemistry Deen Dayal Upadhyaya College Prepared by: Dr. Chayannika Singh 1. Explain the following terms: a) Software b) Debugging c) Computer Virus d) Byte e) ASCII Code f) Fifth generation computers g) Hardware h) Operating system 2. Write the full form of the following: a) ROM b) BASIC c) DOS d) ALU e) CPU f) MODEM g) RAM h) OCR i) VDU j) PDF 3. Differentiate between the following: a) Bug & Virus b) BIT &BYTE c) Low level language & High level language d) DATA & Information e) Interpreter & Compiler f) RAM & ROM g) Defined function & Subroutine 4. Write a program in BASIC to find sum of N natural numbers and the sum of the squareroots of the first N natural numbers. 5. Write a program to write CHEMISTRY in a vertical line. 6. Identify the valid and invalid numeric and string variables giving reasons: a) 2 volumes b) Real123 c) DIM d) A$4 e) MO-LEVEL f) CHR$ g) TUBELIGHT h) 4A i) X$3 7. Write the following algebraic equation in BASIC: a) a = 27R2T2/64P b) P = 𝑅𝑇 – π‘Žπ‘›2 π‘‰βˆ’π‘›π‘ 𝑣2 c) V = Ο€Pr4/8lu d) N = (2J + 1) exp (-BJ(J + 1) hc/KT) e) A = (s(π‘ βˆ’π‘Ž)(π‘ βˆ’π‘)(π‘ βˆ’π‘))1/2 f) f = 4Ο€(m/2Ο€RT)3/2 v2 e-mv2/2RT g) Ξ» = h / ( 2meV )1/2 h) E = (hj(j+1)) / 8Ο€2IkT 8. What is the difference between GOSUB and DEF statements? Write all necessary conditions and statements. 9. Using DIM statement explain the difference between 1-D array and 2-D array. 10. Write a program to calculate nCr. Where n=6 and r=0 to 4. Output should be printed in three columns with heading n, r and nCr. 11. What is the purpose of following library functions: a) RND b) LOG (x) c) ABS (x) d) SIN (x) e) SQR(x) f) INT(x) g) SGN(x) h) TAB i) CINT (x) 12. Write the statements in BASIC for each of the following situation: a) Assign a value 25 to the variable X b) Assign a string New Delhi to the variable B$ c) Increase the value assigned to the variable Y by 0.2 13. Write a user friendly program to generate the first β€œN” terms of the Fibonacci series: 0, 1, 1, 2, 3, 5, 8,……………………. The user should have the choice to select the value of N. 14. Which of the following cannot be used as file name in BASIC. Give reasons: a) New b) 1Max c) Boltzman1 d) Add 1 e) Hello 15. Write a program to print alphabets in upper case and lower case sequentially (i.e. Aa, Bb, Cc……..) ASCII value in decimal for A – Z = 65 to 90 and for a – z = 97 to 122. 16. Indicate the error in the following and write the corrected statement: a) FOR X = 1 – 10 STEP 1 b) 4N = (X^2 + 1) c) X = β€œDATE” d) T$ = R$ * K$ e) X = 18,758 f) P = 2.568E + 50 g) If A = 200 THEN B$ = 50 h) PAI = 3.14285 i) LET B+C = 40 j) Y = aSinX k) INPUT X; Y;Z; l) LET D = B*B – 4*AC m) PRINT β€œroots are X1 and X2” ; X1 and X2 n) PRINT CALCULATING D 17. Write a program for calculating βˆ‘X, βˆ‘Y, βˆ‘XY and βˆ‘X2Y. Use READ statement to enter the following data: S.No. X Y 1 2 7 2 4 11 3 10 19 4 16 27 5 21 35 6 24 39 7 30 45 8 36 49 9 40 53 10 58 65 Write the expected output. 18. Write a program to estimate the mean and variance of a set of numbers: Mean = 𝑛 𝑛𝑖=1π‘₯𝑖 Variance = 𝑛 𝑛𝑖=1(π‘₯𝑖 βˆ’ π‘šπ‘’π‘Žπ‘›)2 19. Write a user friendly program to calculate: Uav = (8RT / (Ο€M))1/2 Urms = (2RT / M )1/2 for various gases. R = 8.314, T = 300, M = 32 x 10-3. Also, write the output for this program for Oxygen gas. 20. Write output from the following statements: 10 A = 3 11 B = 16.9 12 C = 123456789 13 D = 0.00001234 14 E$ = β€œDelhi” 15 F = B/A 16 PRINT A, B, C, D, E$, F 17 PRINT 18 G = B\A 19 PRINT A; B; C; D; E$; F; G 21. Under what situation LET, INPUT and READ statements are used? Give examples. 22. What do you understand by SUBROUTINES. What statements are used to create a subroutine. Illustrate giving an example. 23. Write a program in BASIC to input (using READ…DATA) and multiply 2x2 matrices, A and B. Program should print the resultant product matrix C. 24. What is the purpose of REM statement? How is it used? 25. Describe the following error messages with examples: a) Syntax error b) DATA out of range c) TYPE mismatch d) FOR without NEXT e) Redo from start 26. Convert the following decimal numbers into binary number and vice versa. a) (435.65)10 b) (11101.1101)2 c) (11111101)2 27. Do the following conversions: a) (4AB)16 = (………)10 b) (6012)8 = (………)10 28. Several IF….THEN statements are shown below. Write error against each statement, if any: a) IF X + Y < > Z THEN M b) GOTO 150 IF K = 5 29. Several FOR….TO statements are shown below. Write error against each statement, if any: a) FOR J = 1 TO -100 STEP -5 b) FOR K$ = 1 TO 20 STEP 0.2 c) FOR J + 100 TO 1 STEP 5 d) FOR A$ = B$ TO D$ 30. Write output of the following programs: A) FOR I = 1 TO 3 SUM = 0 FOR J = 1 TO 2 SUM = SUM + I + J NEXT J NEXT I PRINT SUM END B) READ C, N, O READ SI, P, S PRINT C; N; O; PRINT SI; P; S DATA 4, 7, 8 DATA 14, 15, 32 END C) A = 10 B = 5 C = A + B C = C – A PRINT C; PRINT C + A: PRINT PRINT C + B: PRINT β€œSTOP” END