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 methanol on this link.

Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)		Sample	BH(0)
156	7.6	zoom	30	23.8	zoom	460	30.0	zoom	118	36.1	zoom	427	41.2	zoom	274	48.2	zoom
76	7.9	zoom	342	24.2	zoom	325	30.3	zoom	418	36.1	zoom	444	41.3	zoom	388	48.3	zoom
425	11.5	zoom	310	24.2	zoom	359	30.4	zoom	373	36.3	zoom	338	41.4	zoom	77	48.7	zoom
406	12.4	zoom	299	24.3	zoom	348	30.7	zoom	216	36.5	zoom	407	41.6	zoom	202	48.8	zoom
62	13.2	zoom	484	24.3	zoom	169	30.8	zoom	38	36.6	zoom	364	41.7	zoom	412	49.0	zoom
72	14.5	zoom	485	24.5	zoom	431	30.9	zoom	333	37.1	zoom	435	42.2	zoom	268	49.7	zoom
228	15.8	zoom	138	24.6	zoom	453	31.2	zoom	303	37.2	zoom	178	42.8	zoom	439	50.1	zoom
196	16.4	zoom	42	24.8	zoom	259	31.3	zoom	382	37.3	zoom	395	43.0	zoom	180	50.3	zoom
113	18.0	zoom	473	24.9	zoom	248	31.4	zoom	27	38.1	zoom	57	43.0	zoom	270	50.3	zoom
480	18.1	zoom	273	25.3	zoom	430	31.6	zoom	411	38.1	zoom	133	43.1	zoom	204	50.6	zoom
344	18.5	zoom	286	25.4	zoom	64	32.2	zoom	380	38.2	zoom	456	43.2	zoom	328	50.6	zoom
4	19.4	zoom	403	26.0	zoom	347	32.2	zoom	368	38.3	zoom	381	43.2	zoom	334	50.9	zoom
361	19.9	zoom	428	26.1	zoom	372	32.3	zoom	351	38.3	zoom	409	43.4	zoom	71	51.3	zoom
172	20.1	zoom	304	26.6	zoom	53	32.5	zoom	234	38.4	zoom	144	43.5	zoom	276	51.4	zoom
307	20.1	zoom	463	26.8	zoom	45	32.5	zoom	213	38.6	zoom	225	43.7	zoom	434	51.9	zoom
66	20.1	zoom	335	26.9	zoom	414	32.7	zoom	313	38.7	zoom	346	43.9	zoom	457	52.2	zoom
271	20.3	zoom	449	27.0	zoom	267	33.2	zoom	94	38.9	zoom	420	44.0	zoom	370	52.4	zoom
309	20.3	zoom	231	27.2	zoom	398	33.2	zoom	220	38.9	zoom	371	44.2	zoom	446	52.6	zoom
127	20.5	zoom	397	27.4	zoom	481	33.5	zoom	392	39.1	zoom	115	44.4	zoom	291	52.9	zoom
350	20.5	zoom	123	27.5	zoom	458	33.5	zoom	22	39.1	zoom	25	44.7	zoom	300	53.6	zoom
297	20.6	zoom	468	27.5	zoom	119	33.9	zoom	246	39.1	zoom	483	44.9	zoom	151	54.1	zoom
426	21.0	zoom	301	27.9	zoom	422	34.0	zoom	254	39.1	zoom	1	45.1	zoom	433	54.3	zoom
166	21.1	zoom	461	28.1	zoom	341	34.0	zoom	421	39.1	zoom	440	45.2	zoom	378	54.3	zoom
245	21.6	zoom	443	28.2	zoom	193	34.1	zoom	401	39.2	zoom	394	45.2	zoom	358	54.7	zoom
424	21.6	zoom	247	28.2	zoom	49	34.1	zoom	478	39.4	zoom	454	45.4	zoom	375	55.1	zoom
9	21.8	zoom	323	28.3	zoom	296	34.4	zoom	408	39.4	zoom	44	45.5	zoom	470	55.9	zoom
400	21.9	zoom	352	28.8	zoom	284	34.5	zoom	475	39.4	zoom	465	45.8	zoom	345	58.3	zoom
472	22.3	zoom	438	28.8	zoom	221	34.5	zoom	269	39.6	zoom	410	45.9	zoom	437	58.7	zoom
363	22.3	zoom	391	28.9	zoom	135	34.7	zoom	293	39.7	zoom	50	46.1	zoom	387	59.0	zoom
224	22.5	zoom	210	28.9	zoom	362	34.8	zoom	194	39.9	zoom	413	46.4	zoom	379	60.1	zoom
101	22.7	zoom	466	28.9	zoom	471	35.2	zoom	250	39.9	zoom	479	46.6	zoom	18	60.2	zoom
455	22.9	zoom	482	29.2	zoom	163	35.2	zoom	448	40.1	zoom	384	46.8	zoom	214	60.6	zoom
173	22.9	zoom	366	29.2	zoom	59	35.3	zoom	340	40.1	zoom	212	46.9	zoom	474	67.9	zoom
188	23.1	zoom	106	29.5	zoom	367	35.3	zoom	92	40.5	zoom	429	47.1	zoom
201	23.1	zoom	298	29.5	zoom	452	35.4	zoom	476	40.6	zoom	365	47.2	zoom
469	23.2	zoom	354	29.8	zoom	385	35.9	zoom	331	40.6	zoom	459	47.6	zoom
404	23.2	zoom	321	29.8	zoom	46	35.9	zoom	393	40.8	zoom	464	47.7	zoom
441	23.5	zoom	241	29.8	zoom	185	36.0	zoom	306	40.9	zoom	462	47.8	zoom
396	23.5	zoom	96	29.9	zoom	450	36.0	zoom	477	41.0	zoom	432	48.2	zoom