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Download e-book for kindle: Calculator Programming for Chemistry and the Life Sciences by Frank H. Clarke

By Frank H. Clarke

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Additional resources for Calculator Programming for Chemistry and the Life Sciences

Example text

Once the calculation of coefficients is complete, they may be recorded on a separate card (bank 4) and used over and over with pro­ grams 213 and 214 or program 22. C. Calculator Labels Part 1 of program 21 uses only four user-defined labels (Table 2-12). E' is used for initialization; it clears the memories and sets the counters. A' is used to shorten data entry by automatically entering a portion of the data. A begins the calculation of coefficients. B' also shortens data entry. Part 2 of program 21 uses A, B, C, D, and E as labels for atoms of C, H, N, O, and X, respectively (X may be any atom).

7193 30. 0302 31. 0387 3 0. 0197 31. 372 10. 54 ■z>·». :■. 18. 4 34. 7. 706 35. 90. 36. 9 0- . 10^35 34. 13. 8 35. 9 0. 3 6. 107. 6 90. 33. 0. 39. 90. 40. Ö. 41. 4961 42. 3764 43. 0. 1516 44. 8073 45. 2726 46. 0883 47. 90. 3 8. 0. 3 9. 90. 40. 0. 41. 2322 42. 3933 43. 0. 1715 44. 3895 45. 2364 46. 4782 47. -120. 48039 1. 4 4 4 8 9 0 5 1 1 211. 2253349 - 9 6 . 57553894 •-I ? · :· f . a •Z' Γ . 95454009 Cortisol 21. 0. 7 1 9 3 0. 0 8 0 2 0. 1309 0. 00 0. 00 0. 00 11. 0. 4 9 6 1 0. 3 7 6 4 0. 1516 6.

0000 0. 0 0 0 0 0. 0000 cr 0. 9523 0. 1108 -0 1930 1 4852 1 0901 0 0000 2 3105. 107. 9 Dihedral angles u -0 o -Ϊ -0 0164 1. 0164 0 0 -0 1930 1 4352 1 0901 0 0000 2010605. -97. 0 4. 1. 0 9 y 2 1 364 1641 uuuu 0000 10 6 0 5 0 4. 1. 5916 6 0 5 0 4 0 3. -47. 5928 -1. 7362 -0. =; n 4 0 ■": n 2. 1. Li. 0000 4030201. 0149 -1 5475 ° Data from Table 2-3. B for explanation. 6 3154 Angles 0 1108 -0 1930 1 4852 1 0901 0 0000 02 I) 105. -17. 8 6. 0. 8 3 9 7 0. 1930 -0. 0671 0. o 8 9 6 0149 -1. 5475 0 2 0 1 U 6.

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