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Diffstat (limited to 'Elements_of_Physical_Chemistry_by_Atkins_Peter/Chapter17.ipynb')
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diff --git a/Elements_of_Physical_Chemistry_by_Atkins_Peter/Chapter17.ipynb b/Elements_of_Physical_Chemistry_by_Atkins_Peter/Chapter17.ipynb new file mode 100755 index 00000000..ab0a46f5 --- /dev/null +++ b/Elements_of_Physical_Chemistry_by_Atkins_Peter/Chapter17.ipynb @@ -0,0 +1,99 @@ +{
+ "metadata": {
+ "name": ""
+ },
+ "nbformat": 3,
+ "nbformat_minor": 0,
+ "worksheets": [
+ {
+ "cells": [
+ {
+ "cell_type": "heading",
+ "level": 1,
+ "metadata": {},
+ "source": [
+ "Chapter 17 - Molecular rotations and vibrations"
+ ]
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example E1 - Pg 423"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the frequency of transistion\n",
+ "#Initialization of variables\n",
+ "import math\n",
+ "mH=1.673*math.pow(10,-27) #kg\n",
+ "mCl=5.807*math.pow(10,-26) #kg\n",
+ "R=127.4 *math.pow(10,-12) #m\n",
+ "#calculations\n",
+ "mu=mH*mCl/(mH+mCl)\n",
+ "I=mu*R*R\n",
+ "B=1.05457*math.pow(10,-34) /(4*math.pi*I)\n",
+ "f=2*B/math.pow(10,9)\n",
+ "#results\n",
+ "print '%s %.1f %s' %(\"Frequency of transistion =\",f,\"GHz\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Frequency of transistion = 635.9 GHz\n"
+ ]
+ }
+ ],
+ "prompt_number": 1
+ },
+ {
+ "cell_type": "heading",
+ "level": 2,
+ "metadata": {},
+ "source": [
+ "Example I1 - Pg 428"
+ ]
+ },
+ {
+ "cell_type": "code",
+ "collapsed": false,
+ "input": [
+ "#calculate the wavenumber and wavelength\n",
+ "#Initialization of variables\n",
+ "import math\n",
+ "v=89.6*math.pow(10,12) #Hz\n",
+ "#calculations\n",
+ "l=3*math.pow(10,8) /v\n",
+ "wn=math.pow(10,-2) /l\n",
+ "#results\n",
+ "print '%s %d %s' %(\"Wavenumber =\",wn,\" cm^-1\")\n",
+ "print '%s %.2f %s' % (\"\\n Wavelength =\",l*math.pow(10,6),\"mu m\")\n"
+ ],
+ "language": "python",
+ "metadata": {},
+ "outputs": [
+ {
+ "output_type": "stream",
+ "stream": "stdout",
+ "text": [
+ "Wavenumber = 2986 cm^-1\n",
+ "\n",
+ " Wavelength = 3.35 mu m\n"
+ ]
+ }
+ ],
+ "prompt_number": 2
+ }
+ ],
+ "metadata": {}
+ }
+ ]
+}
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