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Atkins & de Paula:
Physical Chemistry for the Life Sciences

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Atkins & De Paula: Physical Chemistry for the Life Sciences
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Hydrogen bond energy and angle 11.29

The variation of the energy of interaction (on the electrostatic model) of a hydrogen bond as the angle between the O--H and O...O directions is changed is given by

Where A is the constant (J m mol-1), zO and zH are the partial charges on O and H, is the angle (degrees), and R and r are in meters.

To graph the bond energy (J mol-1) enter the parameters (i.e., zO, zH, R, r) and hit New Plot. Up to 5 plots can be displayed at one time. The Clear button will remove all plots. To see the parameters for each plot hit the Legend on/off button. The Redraw button will refresh the graph. This is useful when the function domain (i.e., ) has been changed. To see the value of each plot at a given point, move your cursor to the desired location then click and hold.

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