Table 3.

Example Calculation of the Standard Heat of Combustion (in kJ/mol) of 4-Methylene-2-oxetanone.

Atom Type Neighbors	C sp3 H2C2	C sp2 H2=C	C sp2 C=CO	C sp2 CO=O	O C2(2pi)	Angle90	Sum
Contribution	−653.47	−703.3	−470.12	−256.51	278.25	−24.51
n Groups	1	1	1	1	1	4
N × Contrib.	−653.47	−703.3	−470.12	−256.51	278.25	−98.04	−1903.19