Click on the ZPE corrected Binding Energy value to display on the Jmol applet, and start to use Jmol, the complex between water and the water cluster. To easily identified the adsorbed water, the Oxygen of that molecules is reported as Nitrogen (in blue). 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(B97-3c: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 bare water on this link.

Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)
45	11.6	zoom	409	26.8	zoom	205	31.1	zoom	450	36.0	zoom	443	39.7	zoom	186	45.1	zoom
356	15.2	zoom	483	26.9	zoom	391	31.5	zoom	80	36.1	zoom	392	39.9	zoom	112	45.1	zoom
233	15.5	zoom	171	27.2	zoom	401	31.5	zoom	434	36.4	zoom	439	40.4	zoom	278	45.4	zoom
207	15.8	zoom	422	27.3	zoom	461	32.0	zoom	192	36.7	zoom	454	40.6	zoom	410	45.8	zoom
404	18.2	zoom	460	27.4	zoom	476	32.1	zoom	464	36.7	zoom	367	40.6	zoom	437	45.8	zoom
369	18.8	zoom	273	27.4	zoom	440	32.2	zoom	463	36.9	zoom	400	40.8	zoom	469	45.8	zoom
374	18.8	zoom	331	27.5	zoom	265	32.2	zoom	209	37.1	zoom	478	40.9	zoom	8	45.8	zoom
306	20.2	zoom	419	27.9	zoom	325	32.3	zoom	364	37.2	zoom	420	41.3	zoom	438	45.9	zoom
468	20.4	zoom	380	28.0	zoom	451	32.6	zoom	365	37.3	zoom	371	41.4	zoom	387	47.2	zoom
458	20.7	zoom	484	28.7	zoom	329	33.0	zoom	432	37.3	zoom	211	41.6	zoom	0	47.4	zoom
309	21.3	zoom	383	28.8	zoom	428	33.2	zoom	408	37.6	zoom	379	41.8	zoom	452	47.5	zoom
307	21.6	zoom	250	28.8	zoom	54	33.8	zoom	341	37.6	zoom	407	41.9	zoom	190	47.5	zoom
363	22.3	zoom	388	29.0	zoom	411	33.9	zoom	475	37.8	zoom	459	42.4	zoom	345	47.7	zoom
471	22.3	zoom	455	29.1	zoom	208	34.1	zoom	393	37.8	zoom	477	42.6	zoom	403	48.0	zoom
82	22.4	zoom	467	29.5	zoom	462	34.3	zoom	17	38.1	zoom	348	42.7	zoom	426	49.6	zoom
262	22.5	zoom	344	29.7	zoom	172	34.8	zoom	360	38.2	zoom	435	43.0	zoom	234	50.1	zoom
323	23.0	zoom	372	29.8	zoom	412	35.0	zoom	482	38.4	zoom	334	43.1	zoom	285	50.2	zoom
424	23.2	zoom	386	29.9	zoom	385	35.2	zoom	1	38.8	zoom	55	43.3	zoom	433	50.7	zoom
473	23.3	zoom	219	30.0	zoom	378	35.3	zoom	436	39.1	zoom	332	43.4	zoom	376	52.5	zoom
396	23.8	zoom	417	30.2	zoom	69	35.3	zoom	441	39.2	zoom	324	44.1	zoom	342	53.0	zoom
338	25.1	zoom	297	30.5	zoom	472	35.3	zoom	425	39.3	zoom	449	44.1	zoom	474	56.0	zoom
347	25.8	zoom	479	30.7	zoom	429	35.3	zoom	466	39.4	zoom	453	44.5	zoom	63	56.6	zoom
218	26.0	zoom	370	30.9	zoom	315	35.8	zoom	355	39.5	zoom	470	44.6	zoom	448	56.6	zoom
456	26.4	zoom	251	30.9	zoom	421	36.0	zoom	81	39.7	zoom	339	45.1	zoom	427	64.2	zoom