From f270f72badd9c61d48f290c3396004802841b9df Mon Sep 17 00:00:00 2001 From: kinitrupti Date: Fri, 12 May 2017 18:53:46 +0530 Subject: Removed duplicates --- .../Chapter17.ipynb | 99 ++++++++++++++++++++++ 1 file changed, 99 insertions(+) create mode 100755 Elements_of_Physical_Chemistry_by_Atkins_Peter/Chapter17.ipynb (limited to 'Elements_of_Physical_Chemistry_by_Atkins_Peter/Chapter17.ipynb') 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": {} + } + ] +} \ No newline at end of file -- cgit