Table 5.

Heat of Formation: Experiment vs. Calculation (in kJ/mol).

Compound	Experimental		Calculated
	Domalski [42]	Various
Ethyleneglycol	−455.1	−460.0 [53]	−461.81
Benzaldehyde	−84.2	−87.0 [53]	−86.37
Brassidic acid	−896.0	−960.7 [53]	−913.74
Triphenylene	141.2	151.8 [56]	173.36
Fluoranthene	191.6	230.3 [56]	176.03
Pyrene	114.9	125.5 [56]	152.23
Leucine	−636.3	−648.0 [44]	−639.07
N-Carboxymethylglycine	−919.0	−932.6 [44]	−905.86
l-Serine	−726.8	−732.7 [44]	−741.09
Isoleucine	−635.6	−640.6 [44]	−634.07