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Reg. No.: Name:: Q.No. Sub. Sec. Question Description Marks

This document is a mid-term examination for an Introduction to Computational Chemistry course. It contains 5 questions assessing students' knowledge of key concepts covered in the course, including: 1) Calculating statistical measures like the mean, standard deviation, and variance for a set of chemistry exam scores. 2) Explaining the photoelectric effect and using it to calculate the work function of a metal. 3) Comparing the wavelengths and uncertainties in position and velocity for different particles using quantum physics equations. 4) Drawing and describing the Schrodinger wave equation for a particle in a 1D box. 5) Calculating moles of gas and gas pressure using the ideal gas law.

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Laxmitej Manchikanti
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51 views2 pages

Reg. No.: Name:: Q.No. Sub. Sec. Question Description Marks

This document is a mid-term examination for an Introduction to Computational Chemistry course. It contains 5 questions assessing students' knowledge of key concepts covered in the course, including: 1) Calculating statistical measures like the mean, standard deviation, and variance for a set of chemistry exam scores. 2) Explaining the photoelectric effect and using it to calculate the work function of a metal. 3) Comparing the wavelengths and uncertainties in position and velocity for different particles using quantum physics equations. 4) Drawing and describing the Schrodinger wave equation for a particle in a 1D box. 5) Calculating moles of gas and gas pressure using the ideal gas law.

Uploaded by

Laxmitej Manchikanti
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Reg. No.

:
Name :

Mid-Term Examinations – November 2021


Programme : All B.Tech Semester : Fall 2021-22
Course : Introduction to Computational Chemistry Code : CHY1005
Faculty : Dr. Vivek Kumar Yadav Slot/ Class No. : C11+C12+C13/0330
Time : 1 ½ hours Max. Marks : 50

Answer all the Questions

Sub.
Q.No. Question Description Marks
Sec.

1 (a) The marks of eight students in chemistry class are 81, 70, 89, 44, 91 ,72, 68, 96 out
of 100.
2X5
Calculate the (a) mean, (b) absolute error, (c) mean absolute error, (d) variance, and
(e) standard deviation.

2 (a) Explain briefly the photoelectric effect with diagram. Explain and plot how
frequency or intensity of light will affect the electron kinetic energy and electron
current.
5X2
(b) A metal surface is illuminated by light of two different wavelengths 248 nm and
310 nm. The maximum speeds of the photoelectrons corresponding to these
wavelengths are v1 and v2, respectively. If the ratio v1:v2=4:2 and hc=2000 eV-nm,.
Calculate the work function of the metal.

(a) Compare the wavelength for an particle A ( with mass= 1 x 10-30 Kg) travelling at
3 an speed of 1.9 x 106 m/s with that of particle B (mass= 50kg ) travelling at 40m/s. (h=
6.626 X 10-34 Js )

(b) The hydrogen atom has a radius on the order of 0.05 nm. Assuming that we know
the position of an electron to an accuracy of 1% of the hydrogen radius, calculate the 3+7
uncertainty in the velocity of the electron using the Heisenberg uncertainty principle.
Then compare this value with the uncertainty in the velocity of a ball of mass 0.2 kg
and radius 0.05 m whose position is known to an accuracy of 1% of its radius. (h=
6.626 X 10-34 Js )

4 (a) Draw the particle in 1D box with all the required boundary conditions, write the
Schrödinger wave equation, and wave function before normalization.
5+2+3
(b) What is the condition for normalizing an wave function.

(c) What is the difference between the Schrodinger wave equation for particle in 1D

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box and H-like atom.

5 (a) If there is an unknown quantity of hydrogen gas at a pressure of 2.1 atm, a volume
of 35 L, and a temperature of 28 degrees Celsius, how many moles of gas are present?

(b)What is the pressure exerted by 32.00 g of Oxygen gas in a 20. L container at 30.00 5+5
C? Use R = 0.0821 L atm/mol k?

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