Computer software applications in chemistry / Peter C. Jurs
Material type:
TextPublication details: New York : Wiley, 1996Edition: 2nd edDescription: x, 291 pages : illustrations ; 25 cmContent type: - text
- unmediated
- volume
- 0471105872
- 9780471105879
- 542/.85/53 20
- QD39.3.E46 J873 1996
| Item type | Current library | Collection | Shelving location | Call number | Status | Date due | Barcode |
|---|---|---|---|---|---|---|---|
Books
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Dato Maznah Library & Information Services | Open Collection | Q Science (General) | QD39.3.E46 J873 1996 (Browse shelf(Opens below)) | Available | 00001819 |
"A Wiley-Interscience publication."
Includes bibliographical references and index
1. Introduction -- 2. Error, Statistics, and the Floating-Point Number System -- 3. Curve Fitting -- 4. Multiple Linear Regression Analysis -- 5. Numerical Integration -- 6. Numerical Solution of Differential Equations -- 7. Matrix Methods and Linear Equation Systems -- 8. Random Numbers and Monte Carlo Simulation -- 9. Simplex Optimization -- 10. Chemical Structure Information Handling -- 11. Mathematical Graph Theory -- 12. Substructure Searching -- 13. Molecular Mechanics and Molecular Dynamics -- 14. Pattern Recognition -- 15. Artificial Intelligence and Expert Systems -- 16. Spectroscopic Library Searching and Structure Elucidation -- 17. Graphical Display of Data -- 18. Graphical Display of Molecules
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