DFT Study of a Novel Organic Film: The Structural versus Magnetic Effects

Table 5

Calculated bond distances for cis-3-hexenoic acid, before and after adsorption on top site of Ni(111).

Bond	Distance (Å)
	Free HA	HA/Ni(111)
C=O	1.215	1.232
C–O	1.379	1.355
O–H	0.974	1.041
–C–C	1.513	1.508
C=C	1.346	1.339
=C–C	1.503	1.502