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

Table 1

Adsorption energies and surface-molecule distances for cis-3-hexenoic on the adsorption sites of Ni(111).

	Energy (eV)	OI-NiI distance (Å)	H-NiI distance (Å)
Top	−2.65	2.676	2.013
Hollow	−2.47	2.600	1.714
Bridge	−2.50	2.745	1.747