Theoretical Study of Mixed Hydrogen and Dihydrogen Bond Interactions in 𝐁𝐇_𝟒(𝐍𝐇_𝟑)_𝑛⁻ Clusters

Table 1

BSSE, stabilization energy corrected with ZPE, uncorrected stabilization energy, and cooperative effect (CE) calculated at MP2/6-311++G(d,p).

Cluster	BSSE; kcal mol^−1	SE (uncorr.); kcal mol^−1	SE (corr.); kcal mol^−1	CE; kcal mol^−1
S1	0.83	−7.87	−6.54	—
S21	1.66	−15.24	−12.59	0.49
S22	2.37	−16.20	−12.78	2.48
S31	3.18	−23.33	−18.71	3.09
S32	3.56	−23.57	−18.63	3.16
S41	3.94	−29.83	−24.31	4.02
S42	4.12	−29.83	−24.12	4.20
S43	4.77	−30.10	−24.69	5.82