Click on the ZPE corrected Binding Energy value to display on the Jmol applet, and start to use Jmol, the complex between ammonia and the water whole cluster. The Values are sorted from the lower to higher and are in kJ/mol unit.

The BE are computed at ONIOM(DLPNO-CCSD(T)/aug-cc-pvtz:xTB-GFN2)//ONIOM(B97D3/aug-cc-pvtz:xTB-GFN2) level. To see the zone treated with higher accuracy via ONIOM method click on "zoom".

The bare water cluster can be display clicking on this link and the ammonia on this link.

Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)
34	12.7	zoom	109	23.5	zoom	19	29.5	zoom	21	32.3	zoom	56	34.6	zoom	70	39.8	zoom
58	12.8	zoom	129	23.6	zoom	116	30.1	zoom	55	32.5	zoom	28	35.3	zoom	132	40.0	zoom
147	13.5	zoom	36	23.7	zoom	135	30.3	zoom	121	33.0	zoom	88	35.5	zoom	90	40.8	zoom
62	13.6	zoom	33	24.3	zoom	124	30.7	zoom	156	33.0	zoom	161	35.8	zoom	112	41.5	zoom
153	13.6	zoom	43	25.3	zoom	134	30.7	zoom	82	33.1	zoom	128	35.9	zoom	39	41.8	zoom
133	15.3	zoom	123	26.4	zoom	41	30.8	zoom	138	33.3	zoom	113	35.9	zoom	60	41.9	zoom
11	16.7	zoom	150	26.7	zoom	64	31.0	zoom	154	33.5	zoom	16	36.0	zoom	101	43.6	zoom
4	16.9	zoom	145	27.6	zoom	117	31.3	zoom	104	33.7	zoom	148	36.1	zoom	31	43.8	zoom
157	18.0	zoom	111	27.7	zoom	102	31.5	zoom	18	34.0	zoom	143	36.3	zoom	46	44.5	zoom
40	20.1	zoom	85	28.0	zoom	9	31.7	zoom	139	34.1	zoom	68	36.5	zoom	122	46.7	zoom
53	21.2	zoom	140	28.0	zoom	95	31.9	zoom	30	34.1	zoom	15	37.7	zoom	44	47.1	zoom
65	22.2	zoom	159	29.1	zoom	74	32.0	zoom	61	34.2	zoom	160	38.3	zoom	149	50.6	zoom
75	22.2	zoom	136	29.4	zoom	86	32.1	zoom	10	34.2	zoom	125	39.7	zoom