A Textbook of Physical Chemistry: Computational Aspects in Physical Chemistry (SI Unit), 3e, Volume 6

Title
Contents
1. SYNOPSIS OF COMMONLY USED STATEMENTS IN BASIC LANGUAGE
	1.1 Introduction
	1.2 Numbers (or Constants) and Strings
	1.3 Variables
	1.4 Mathematical Operations
	1.5 Assigning Value of a Variable
	1.6 Printing Value of a Variable
	1.7 Branching Statements
	1.8 Use of Logical Operators
	1.9 Use of Loop Statement
	1.10 Subscripted Variables
	1.11 Library Functions
	1.12 Functions and Subroutines
	1.13 American Standard Code For Information Interchange (ASCII)
	1.14 Computer Graphics
2. LIST OF PROGRAMS
	2.1 A Few Arithmetic Calculations
	2.2 Average and Root Mean Square Average of the Given Numbers
	2.3 Maximum/Minimum Amongst the Given Numbers
	2.4 Ascending/Descending Order of the Given Numbers
	2.5 Ascending/Descending Order of Alphabetical Names
	2.6 Roots of a Quadratic Expression, ax2 + bx + c = 0
	2.7 Root of a Function
	2.8 Generation of Fibonacci Numbers
	2.9 Generation of Factorials
	2.10 Generation of Prime Numbers
	2.11 Generation of Pascal Triangle
	2.12 Rounding of a Number
	2.13 Matrix Multiplication
	2.14 Value of a Determinant
	2.15 Inverse of a Matrix
	2.16 Solutions of Linear and Nonlinear Equations
	2.17 Balancing Chemical Equation
	2.18 Numerical Interpolation
	2.19 Numerical Integration
	2.20 Numerical Differentiation
	2.21 Sine and Cosine of an Angle by Series Summation
	2.22 Histrogram of the Ratio nCm/(nCm)maximum
	2.23 Evaluation of Thermodynamics Quantities of a Monatomic Gaseous Substance
	2.24 Evaluation of Thermodynamics Quantities of a Diatomic Gaseous Substance
	2.25 Evaluation of Thermodynamic Quantities of a Triatomic Gaseous Substance
	2.26 Evaluation of Equilibrium Constant of N2(g) 2N(g)
	2.27 Evaluation of Rate Constant of H + HBr H2 + Br
	2.28 Least Square Fitting for y = a0 + a1x
	2.29 Polynomial Fitting
	2.30 Display of Van Der Waals Isotherms of a Gas
	2.31 Display of Distribution of Molecular Speeds
	2.32 Display of Distribution of Molecular Energies
	2.33 Display of Potential Energy of Interaction of Ions
	2.34 pH Titration Curve of a Strong Acid with a Strong Base
	2.35 pH Titration Curve of a Weak Acid with a Strong Base
	2.36 Display of Distribution Functions of a Diprotic Acid
	2.37 pH Titration Curve of a Diprotic Acid with a Strong Base
	2.38 General Treatment of pH Titration Curve of a Monoprotic Acid
	2.39 General Treatment of pH Titration Curve of a Diprotic Acid
	2.40 Conductivity Titration Curve of a Strong Acid with a Strong Base
	2.41 Display of a Simple Eutectic Phase Diagram
	2.42 Display of a Phase Diagram Exhibiting a Complete Series of Solid Solution
	2.43 Display of the Concentrations of A, B and C in the Consecutive
	2.44 Display of Wave Functions of a Particle in a Box
	2.45 Display of Wave Functions of a Harmonic Oscillator
	2.46 Display of r–Dependent Wave functions of a Hydrogen Atom
	2.47 Display of Angular Dependence of p and d Orbitals
	2.48 Display of Shapes and Orientations of sp and sp2 Hyprid Orbitals
	2.49 Display of Energies of Bonding and Anti-bonding Molecular Orbitals of + H
	2.50 Display of r-dependence of Molecular Orbitals of + H
	2.51 Display of Radiant Energy of a Black Body
	2.52 Display of Mass Fraction of kmer of a Polymer
	2.53 Display of Variation of Heat Capacity of Solids at Constant Volume
	2.54 Display of Unit Cells of a Cubic System
	2.55 Display of 100, 110, 111 and 010 Planes of a Primitive Cubic System
	2.56 Display of Joule-Thomson Coeffi cient and Inversion Temperature
	2.57 Calculation of Internuclear Distance from Rotational Constant
	2.58 Plot of More Potential of a Diatomic Molecule
	2.59 Solvent Extraction
	2.60 Para/Ortho Variations of H2 at Different Temperatures
	2.61 Potentiometric Titrations
	2.62 Vapour Pressure of Water via Entropy and Free Energy Considerations
	2.63 Solution of Differential Equation of the First-Order
	2.64 Solution of Differential Equation of the Second-Order
	2.65 Autocatalysis
3. PROJECTS
	3.1 Display of Van Der Waals Isotherms Along with its Surface of Discontinuity
	3.2 Display of Gibbs Valley of a Reaction
	3.3 Calculation of -electron Hückel Molecular Orbitals
	3.4 Eutectic Phase Diagram via Free Energy Considerations
	3.5 Phase Diagram of Ideal Solid – Ideal Liquid Solutions via Free Energy Considerations
	3.6 Phase Diagram of Non-ideal Binary System via Free Energy Considerations
	3.7 Display of Shapes of Orbitals
	3.8 Eigenvalue Problem
	3.9 Formation of Partially Miscible Liquids
	3.10 Oscillatory Reactions