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. 2022 Nov 21;23(22):14452. doi: 10.3390/ijms232214452

Table 1.

Predicted average rise and helical rise (Å) for the systems studied at the DFT level.

	B3LYP-D3				M06-2X
	6-31G(d,p)		TZVP		6-31G(d,p)		TZVP
	Rise	h-Rise	Rise	h-Rise	Rise	h-Rise	Rise	h-Rise
A $_{6}$	3.14	3.25	3.30	3.34	2.96	3.09	3.18	3.15
C $_{6}$	2.74	2.56	3.24	2.94	2.53	2.20	3.42	3.31
G $_{6}$	3.05	3.12	3.14	3.21	2.94	3.03	3.02	3.09
T $_{6}$	2.55	2.34	2.66	2.43	2.33	2.00	2.40	1.93
A $_{2}$ C $_{2}$ A $_{2}$	2.92	3.02	3.12	3.08	2.75	2.73	3.18	3.15
ds-G $_{4}$	3.43	3.25	3.56	3.33	3.25	3.09	3.40	3.19
ds-A $_{4}$	3.25	3.03	3.26	2.95	2.98	2.96	3.12	2.81