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. 2014 Jan 16;4:3732. doi: 10.1038/srep03732

Table 1. Total energy (Etotal) and interaction energy (ΔEinter) of electron transfer from porphyrin iron to carbon materials at ambient temperatures.

system Etotal (mean) (kcal/mol) std. dev.a ΔEinter (kcal/mol)
cytochrome-graphite (Fe2+) 2889.984 13.504 −4.835
cytochrome-graphite (Fe3+) 2885.149 15.693  
cytochrome-CNT (Fe2+) 4615.448 15.595 −8.367
cytochrome-CNT (Fe3+) 4607.081 15.051  

astd. dev.: standard deviation.