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

Program 22 requires two cards simply because of its length and the entire program (221, 222, and 223) is 55 V. DESIGN entered into the calculator before it is used. 49). Program 21 operates in two parts. Part 1 (211 and 212) is on card 1 and is used to enter raw data and begin the calculation of the coefficients. Part 2 (213 and 214) is on card 2. It completes the calculation of coefficients and uses them. 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.

The original coordinates are each multiplied by a scale factor to provide data that are convenient for model building or for plotting on coordinate paper. Transformation of axes. X-Ray crystallographic axes are often not mutually perpendicular. The dimensions along each crystallographic axis are proportional to the lengths of the edges of a unit crystal and are usually different for each axis. Thus, the transformation from x-ray crystallo­ graphic axes to orthogonal axes must take into account the angles between the axes and the unit dimensions along each axis (Fig.

Part 1 (211 and 212) is on card 1 and is used to enter raw data and begin the calculation of the coefficients. Part 2 (213 and 214) is on card 2. It completes the calculation of coefficients and uses them. 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.

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