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Diffstat (limited to 'Physical_Chemsitry/Chapter4.ipynb')
| -rwxr-xr-x | Physical_Chemsitry/Chapter4.ipynb | 171 |
1 files changed, 0 insertions, 171 deletions
diff --git a/Physical_Chemsitry/Chapter4.ipynb b/Physical_Chemsitry/Chapter4.ipynb deleted file mode 100755 index 82fe5388..00000000 --- a/Physical_Chemsitry/Chapter4.ipynb +++ /dev/null @@ -1,171 +0,0 @@ -{
- "metadata": {
- "name": "",
- "signature": "sha256:567a331a7783164e40dcbd30f4cdd5679a7a2dc34fb757d2d02e98a98daba061"
- },
- "nbformat": 3,
- "nbformat_minor": 0,
- "worksheets": [
- {
- "cells": [
- {
- "cell_type": "heading",
- "level": 1,
- "metadata": {},
- "source": [
- "Chapter 4 - Molecular energy levels"
- ]
- },
- {
- "cell_type": "heading",
- "level": 2,
- "metadata": {},
- "source": [
- "Example 1 - pg 104"
- ]
- },
- {
- "cell_type": "code",
- "collapsed": false,
- "input": [
- "#calculate the Moment of inertia\n",
- "#initialization of variables\n",
- "import math\n",
- "B=10.34 #cm**-1\n",
- "c=2.998*10**10 #cm/s\n",
- "h=6.625*10**-27 #erg sec\n",
- "#calculations\n",
- "I=h/(8*math.pi**2 *B*c)\n",
- "#results\n",
- "print '%s %.2e %s' %(\"Moment of inertia =\",I,\" g cm^2\")"
- ],
- "language": "python",
- "metadata": {},
- "outputs": [
- {
- "output_type": "stream",
- "stream": "stdout",
- "text": [
- "Moment of inertia = 2.71e-40 g cm^2\n"
- ]
- }
- ],
- "prompt_number": 1
- },
- {
- "cell_type": "heading",
- "level": 2,
- "metadata": {},
- "source": [
- "Example 2 - pg 105"
- ]
- },
- {
- "cell_type": "code",
- "collapsed": false,
- "input": [
- "#calculate the Bond length\n",
- "#Initialization of variables\n",
- "import math\n",
- "ma=1.0080\n",
- "mb=35.457\n",
- "Na=6.0232*10**23\n",
- "I=2.707*10**-40 #g cm**2\n",
- "#calculations\n",
- "mu1=ma*mb/(ma+mb)\n",
- "mu2=mu1/Na\n",
- "r=math.sqrt(I/mu2)\n",
- "#results\n",
- "print '%s %.2e %s' %(\"Bond length =\",r,\"cm\")\n"
- ],
- "language": "python",
- "metadata": {},
- "outputs": [
- {
- "output_type": "stream",
- "stream": "stdout",
- "text": [
- "Bond length = 1.29e-08 cm\n"
- ]
- }
- ],
- "prompt_number": 2
- },
- {
- "cell_type": "heading",
- "level": 1,
- "metadata": {},
- "source": [
- "Example 3 - pg 110"
- ]
- },
- {
- "cell_type": "code",
- "collapsed": false,
- "input": [
- "#calculate the Force constant\n",
- "#Initialization of variables\n",
- "import math\n",
- "c=2.998*10**10 #cm/s\n",
- "wave=2990 #cm**-1\n",
- "mu=1.627*10**-24 #g\n",
- "#calculations\n",
- "k=mu*(2*math.pi*c*wave)**2\n",
- "#results\n",
- "print '%s %.2e %s' %(\"Force constant =\",k,\"dynes/cm\")\n"
- ],
- "language": "python",
- "metadata": {},
- "outputs": [
- {
- "output_type": "stream",
- "stream": "stdout",
- "text": [
- "Force constant = 5.16e+05 dynes/cm\n"
- ]
- }
- ],
- "prompt_number": 3
- },
- {
- "cell_type": "heading",
- "level": 2,
- "metadata": {},
- "source": [
- "Example 4 - pg 111"
- ]
- },
- {
- "cell_type": "code",
- "collapsed": false,
- "input": [
- "#calculate the anharmonicity constant\n",
- "#initialization of variables\n",
- "l1=2886. #cm^-1\n",
- "l2=5668. #cm^-1\n",
- "#calculations\n",
- "wave=2*l1-l2 \n",
- "wave2= wave+l1\n",
- "x=wave/(2*wave2)\n",
- "#results\n",
- "print '%s %.4f' %(\"anharmonicity constant = \",x)\n",
- "\n"
- ],
- "language": "python",
- "metadata": {},
- "outputs": [
- {
- "output_type": "stream",
- "stream": "stdout",
- "text": [
- "anharmonicity constant = 0.0174\n"
- ]
- }
- ],
- "prompt_number": 4
- }
- ],
- "metadata": {}
- }
- ]
-}
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