The Adhesion Mechanism of Marine Mussel Foot Protein: Adsorption of L-Dopa on - and -Cristobalite Silica Using Density Functional Theory

Table 1

Structural parameters of optimized catechol.

	(Å)	(Å)	(Å)	(Å)	(°)	(°)	(°)	(°)	(°)	(°)
Isolated	1.35	0.97	0.98	1.38	120.7	113.5	107.1	111.3	−1.3	1.6
Isolated	1.36	0.97	0.98	1.38	120.7	113.4	107.1	111.3	−1.3	1.6

Previous calculation by Mian et al. [16].