Table 5.

Calculated relative percentage errors (E) of protons A and OH of losartan anion (1) rotamers recorded at 293 K and values of coefficient of determination (R²) and mean absolute deviation (MAD) parameters as a factor describing the correlation of ¹H-NMR with experimental data; the following approaches were considered: (a) B3LYP/6-31G(d,p); (b) PBE1PBE/6-31G(d,p); (c) MP2/6-31G(d,p).

Protons	Relative Percentage Error (E) (%)
	a				b				c
	Vacuum		Water		Vacuum		Water		Vacuum		Water
	I	XI	II	XII	VII	XIII	VIII	XIV	XVII	XIX	XVIII	XX
	syn	anti	syn	anti	syn	anti	syn	anti	syn	anti	syn	anti
A	93	20	93	26	94	18	14	25	94	18	28	28
OH	95	27	95	7	94	31	96	12	97	30	95	12
Parameters
R2	0.71	0.96	0.73	0.99	0.72	0.95	0.75	0.99	0.72	0.97	0.75	0.99
MAD	0.76	0.40	0.58	0.28	0.77	0.43	0.63	0.37	0.67	0.34	0.65	0.36