Computers and their Applications to Chemistry

by Ramesh Kumari

The primary aim of this book is to introduce the fundamentals of BASIC, FORTRAN and C++ language using the concepts of Chemistry. Chapters 1-10 give detailed description of BASIC programming language. The various statements like input/output, control statements, arrays, functions and subroutines have been illustrated with various examples from mathematics, science and chemistry.

FORTRAN and C++ have been introduced in Chapter11 and 12 respectively. Chapter 11 deals with the principles of FORTRAN programming language. A detailed account of various statements input/output, format, control (if.then.else, go to, do loops etc. has been illustrated by various examples. Chapter 12 deals with the C++ programming and its application to Chemistry. C++ is an extension of C language and is the language of future. In Chapters 13 and 14 various softwares used for chemistry have been discussed.

Table of Contents

• Preface to the Second Edition
•

• Preface to the First Edition
• Fundamentals of Computers
• Problem Solving on Computers
• Elements of BASIC Language
• Input/Output and Assignment Statements
• Transfer and Control Statements
• Arrays and Subscripted Variables
• Functions and Subroutines
• String Data Manipulation
• Computer Graphics
• Numerical Methods
• FORTRAN Programming and Chemistry
• C++ Programming and Chemistry
• Computer Software in Chemistry
• Computer Software in Instrument Control
• Appendix GWBASIC/BASICA
• Appendix QBASIC Editor Menus
• Appendix Range of Characters used in QBASIC
• Appendix BASIC Error Messages
• Appendix ASCI Character Codes
• Appendix Commonly used Header Files
• Appendix Commonly used Math Library Functions
• Appendix Size and Range of C++ Basic Data Types
• Glossary
• Bibliography
• Index.

356 pages, Hardcover

First published May 22, 2002