Chemistry: IT skills and Molecular Modelling — DU B.Sc. (Prog.) Applied Physical Sciences with Industrial Chemistry Previous Year Question Papers

: Bachelor of Science in Industrial Chemistry Maximum .Marks : 60 Attempt 4 questions out of 6. 1. (i) What is the purpose of the following excel functions? (ZZ) Why the following eITor messages appear while perfo]rming calculations using excel ? (ZZZ) What is the significance of Molecular Orbitals ? (Zt;) Kohlrausch's law for the molar coriductivity A7n of a strong electrolyte at low concentration a is given as where A°,7t is the molar conductivity at infinite dilution and fa is a constant. ExplaiL how fa and A°7„ can be obtained graphically from results of measurements Of A7ro over a range of concentration a. What is the relation between the following? (CJ) Logio and natural log (a) Va`riance and standard deviation (a) Slope and intercept. How the following function can be written in excel? (Z£) Name any fhree softwares used for 3-D optimization and visualization of the molecules. 3 (Zb.i) Explain the use of trendline function in excel software. Can a trendiine be drawn for a function ? If yes, explain with an example. 4 (ZLJ) a Write short notes on the following (any fzuo) : (cI) Semi-Empirical Method (a) Global maxima and minima (c) Intrinsic reaction coordinate. The wavefunction of a ls orbital of hydrogen atom as a function of distance from the nucleus (r) is given by : \|/Ls=(±)1/2e-r/co where cEo is a constant, Bohr's radius = 52.9 pin. Plot v as a function of r'and indicate the nature of the graph. 3 (ZZ) A particle is described by a wave function v, where v has the form : v = cb -Zb. Calculate the probability (v v*) of finding this particle. 3 (Zzz.) Explain constants, dependent and independent variables with suitable example of an equation from chemistry discipline. 4 (Zz;) Deabbreviate the following terms (any fi.ue) : (i) Find the equation of the line passing through the point (-2, -5) (Zj) Give various methods of energy minimization. (Zzz) Solve a pair of the simultaneou; equation : (jz;) Write short notes on the following (any €Loo) : (ci) AB-initio methods (b°) DFT methods (i) For the equation 2ry - 4#2 + # = 0, find slope, point of maxima/ (I.i) What is a stationary point ? What kinds of stati.onary points are of ilnterest to Chemists ? (ZZZ) What is. the function of the following in Excel : (a) Font color (Zu) (a}) Simplify/Expand the following expressions : (a) What will be the output of the functions in Excel : RIGHT("IT SKILL", 5) (i) Name any *fa7iee softwares used to draw posters/banners for an event. 3 (ZZ) What is the difference between Quantum Mechanics and Molecular (I.ZZ) Write steps to creating Charts in Excel. (Zu) Give world-wide applications of MS-Excel.