Computers in chemistry / K.V. Raman.

By: Material type: TextTextPublication details: New Delhi, India : Tata McGraw-Hill Publishing Company Limited, c1993Description: xv, 596 pages : illustrations ; 23 cmISBN:
  • 74601237
Subject(s): LOC classification:
  • QA 76.7 .R36 1993
Contents:
1. Introduction -- 2. Principles of 'Basic' programming -- 3. Chemistry and 'Basic' programming -- 4. Principles of 'Fortran' programming -- 5. Chemistry and 'Fortran' programming -- 6. C programming and chemistry -- 7. Applications in inorganic chemistry -- 8. Applications in physical chemistry -- 9. Basic programming applications in organic chemistry -- 10. Running Basic, Fortran, and C program using the IBM PC compatible -- References -- Appendixes -- Hints or Answer to Exercises -- Index.
Summary: The book describes the fundamentals of computers to enable students to develop and write simple program related to chemistry. Written with an aim to fill the void existing in graduate textbooks, the attempt here has been to trigger the interest of the students in the direction of the growing application potential of computers in the filed of chemistry.
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Holdings
Item type Current library Home library Collection Call number Copy number Status Date due Barcode
Books Books National University - Manila LRC - Main General Circulation Computer Science GC QA 76.7 .R36 1993 (Browse shelf(Opens below)) c.1 Available NULIB000002454

Includes bibliographical references and index.

1. Introduction -- 2. Principles of 'Basic' programming -- 3. Chemistry and 'Basic' programming -- 4. Principles of 'Fortran' programming -- 5. Chemistry and 'Fortran' programming -- 6. C programming and chemistry -- 7. Applications in inorganic chemistry -- 8. Applications in physical chemistry -- 9. Basic programming applications in organic chemistry -- 10. Running Basic, Fortran, and C program using the IBM PC compatible -- References -- Appendixes -- Hints or Answer to Exercises -- Index.

The book describes the fundamentals of computers to enable students to develop and write simple program related to chemistry. Written with an aim to fill the void existing in graduate textbooks, the attempt here has been to trigger the interest of the students in the direction of the growing application potential of computers in the filed of chemistry.

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