Table 1. Geometry Parameters of Optimized Molecular Structures of MB in Its Oxidized and Reduced Forms.

Bond	Length (oxidized form) (Å)	Length (reduced form) (Å)
C3-N15	1.358	1.398
C12-N16	1.358	1.399
C6-N7	1.339	1.408
N7-C8	1.339	1.408
C5-S10	1.747	1.783
S10-C9	1.747	1.783
Bond	Angle (oxidized form) (°)	Angle (reduced form) (°)
C6-N7-C8	123.171	120.983
C5-S10-C9	103.218	99.519