|About the book|
The book describes the fundamentals of computers to enable students to develop and write simple programs related to chemistry. Written with an aim to fill the void existing at graduate level, the attempt here has been to trigger the interest of the students in the direction of the growing application potential of computers in the field of chemistry.
The language discussed are BASIC, FORTRAN and C. Beginning first with the principles of a language, the book describes control statements and gives a brief introduction to arrays, functions, sub-routines and sequential files. Several common examples and calculations in physical, organic and inorganic chemistry have been presented. More than 150 programming applications, ranging from simple to complex, interesting exercises, hints and problems are some special features of the book.
|About the author|
Dr. K V Raman Professor, Chemistry Department, St Joseph College, Trichy has over twenty years of teaching and research experience. A recipient of the best teacher award in 1992 from the All India Association for Christian Higher Education, he has been a visiting scientist at the university of Madras, Hyderabad and Pondicherry. He received his Ph D from the Indian Institute of Technology, Kanpur in 1973, and has since then published papers in various national and international journals.
|Table of contents|
1. Principles of `Basic' Programming
2. Chemistry and `Basic' Programming
3. Principles of `Fortran' Programming
4. Chemistry and `Fortran' Programming
5. C Programming and Chemistry
6. Applications in Inorganic Chemistry
7. Applications in Physical Chemistry
8. Basic Programming Applications in Organic Chemistry
9. Running Basic, Fortran and C Programs Using The IBM PC Compatible