Computers in chemistry / K.V. Raman.
Material type:
TextPublication details: New Delhi : Tata McGraw-Hill Publishing Company, c1993Description: xv, 596 pages : illustrations ; 23 cmISBN: 0074601237Subject(s): CHEMISTRY -- COMPUTER-ASSISTED INSTRUCTION | CHEMISTRY -- PROBLEMS, EXERCISES, ETC | CHEMISTRYLOC classification: QA 76.7 .R36 1993
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LRC - Main | National University - Manila | Computer Science | General Circulation | 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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