SC-22 (Part-A)
Institute for Excellence in Nigher Education (AWE), Bhopal
M.Sc.: Previous Semester: II
SUBJECT: CHEMISTRY PAPER: II
"TITLE: Mathematics and Computers for Chemists
Max. Marks: 140
Part-A: Mathematics for Chemists Max marks: 70
SYLLABUS
L Vectors and Matrix Algebra
Vectors — dot, cross, triple product etc. Gradient, Divergence & Curl, Vector calculus, Gauss theorem,
nivexgence_tiworem etc
Matrix Algebra — Addition & multiplications, inverse, adjoint & transpose of matrices.
II. Differential Calculus
Functions, continuity & differentiability, rules for differentiation, Application of differential calculus
including maxima & minima (exact related to maximally populated rotational energy levels, Bohr's
radius & most probable velocity from Maxwell's distribution etc.)
III. Integral Calculus
Basic rules for integration, integration by parts, partial fractions & substitution, reduction formulae,
application of integral calculus. Function of several variables, partial differentiation, co-ordinate
transformations (e.g. cartesian to spitericaLpolar)
IV. Elementary Differential Equation
Order & degree of differential equation, first order linear differential equation. Homogeneous, exact
& linear equation, Application to Chemical kinetics, quantum chemistry etc., Second order
differential equation & their solution.
Permutation & Probability
Permutation & combination, Probability & probability theorems; Average, variance root mean square
deviation, example from the kinetic gases etc; Curve fitting (including least square fit etc) with ..C.;
general polynomial fit.
Books Suggested
1. The Chemistry Mathematics Book : E. Steiner, Oxford University Press
2. Mathematics for Chemistry : Doggett & Suiclific, Longman
3. Mathematics for Physical Chemistry : F. Daniels, Mc Graw lfill
4. Chemical Mathematics : D.M. Hirst, Longman
5. , Applied Mathematics for Physical Chemistry : J.R. Barante, Prentice Hall
6. Basic Mathematics for Chemistry : Tebbutt, Wiley
Approved forthe session 2020-21 Page lof 2
•ndly underline the issue ate t e number on the right mar
Gender: 1 Environment & Sustainability. 2 Human-Values: 3 Profess at-Ethks: 4
Emolovabilitv: 5 Entreoreneurshioi 6 Skill-Develooment: 7
SC-22 (Part-B)
Institute for Excellence in Nigher Education (IE.7IE), Ohopar
M.Sc. Previous Semester: II
SUBJECT: CHEMISTRY PAPER: II
it uters for Chemists
TITLE: Mathematics amptc9L
Part-B: Computers for Chemists Max marks: 70
SYLLABUS
I. Introduction to Computer and Computing
Basic Structure and functioning of Computers with a PC as an illustrative example. Memory, I/O
devices, Secondary storage, Computer languages. Operating System with DOS as an example. 0)
Introduction to UNIX & WINDOWS. Data processing, Principles of programming. Algorithms &
7
flow charts.
Computer Programming in C
Elements of the Computer language, Constants & variables, Operations & Symbols, Expressions,
Arithmetic assignment statement, Operators.
Branching Statement — such as if if else, nested if-else, ladder if:else. 6, 7
Looping — while, do-while & for. Controls statements - break, continue & goto.
Functions — User defined function, returning a value from function, local and global variables,
automatic variables, static variables, &eternal variables, declaration of a function, recursion.
Array — Declaration and initialization of 1D & 2D array, String functions (strcpy, strlen, strcmp
and strcat)
III. Programming in Chemistry by C Language
Development o sma computer. c SI s in s lying simple formula in chemistry such as solution of
Vander. Waal equation, pH titration, kinetics,' radioactive decay. Evaluation of lattice energy &
ionic radii from experimental data. Determination of normality, molarity, molality of solution
Electronegativity of atom. Linear simultaneous equation to solve secular within the Buckle
4,7
theory.
IV. Use of Application Pa ka es
ntroduction to application packages such as MS-WORD, MS-EXCEL, special emphasis on
calculation & chart formation and its interpretation (Trendline & Forecasting). 67
INTERNET
Application of INTERNET for Chemistry with search engines, downloading & uploading of files.
7
Books Suggested
1. Fundamental of Chemistry : P.K. Sinha, B.P.B Publication
2. Programming in ANSI C E. Balagurusamy, Tata McGraw Hill
3. Computation Chemistry A.C. Norris
4. Fundamental of Computer V. Rajaraman, Prentice Hill
5. Computer in Chemistry K.V. Raman, Tata McGraw Hill
6. MS Office 2000 Gini Counter, B.P.B. Publication
Approve or the session 2020-21 Page lof 2
Kindly underline the issues & state the num er on th right margin:
Gender: 1 Environment & Sustainability: 2 Human-V lues: 3 Professional-Ethics: 4
Employability: 5 Entrepreneurship: 6 Skill-Develooment: 7
