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Computers in Chemistry
Editor(s):
ISBN: TBA
No. of Pages:
Publishing Year: Forthcoming 2010
Binding: Paperback
Dimension: 18cm x 24cm
Weight:
Subject: Computer Science
Price:
Rs 0.00 $ 0.00 £ 0.00
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| About the Book:
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| The book describes the fundamentals of computers to enable students to develop and write simple programs related to chemistry. The attempt here has been to trigger the interest of the students in the direct application potential of computers in the field of chemistry. The languages discussed are BASIC, FORTRAN and C. Beginning first of a language, the book describes control statements and gives a brief introduction to arrays, functions, sub-routines and sequence common examples and calculations in physical, organic and inorganic chemistry have been presented. More than 150 program ranging from simple to complex, interesting exercises, hints and problems are some special features of the book. |
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| Contents: |
| Computer Education in Chemistry
Personal Computers in Chemical Education
A Brief History of Computers
Understanding Computers
Computer Software
In Favour of BASIC
Getting Started
BASIC Commands
BASIC Functions
Algorithms, Flowcharts and Pseudocodes
Operators
Decisions and Branches
Subroutines
Repetitions/Loops
READ and DATA Statements
Arrays
BASIC Graphics Statements
Computer Errors and Accuracy
Programming Methods
Solubility and Solubility Product
Acid Base Equilibria
The Solutions of Quadratic Equation
Total Entropy Change
Gas Laws
Kinetic Theory of Gases
Madelung Constant
Radioactive Decay
Calculation of pKa from pH-metric Titration Data
Location of End Points in Potentiotirimetry
Simulated Titration Curves of Diprotic Acids
Further Iterative Methods
Numerical Integration
Spectrophotometry and System Of Linear Equations
Statistical Evaluation of Experimental Data
Monte Carlo Methods I
Monte Carlo Methods II
Appendices
Appendices I: ASCII Codes Table-Format of Standard Characters
Appendices II: Students t Values (one-tailed)
Appendices III: Values of Fat 95% Confidence Level
Appendices IV: Rejection Quotients, Q, at Different Confidence Limits
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| Audience: |
| Computer programmers, Students |
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| Shelving: |
| Computer Science |
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