C60(H2O)n

Database

C₆₀(H₂O)_n , n=1-21 Clusters

These results were published in J. Hernandez-Rojas, J. Breton, J.M. Gomez Llorente and D.J. Wales, J. Phys. Chem. B, 110, 13357-13362 (2006).

N	Energy [kJ/mol]	Structure	XYZ Coordinates
1	-6.3088	jpg	xyz-file
2	-36.8497	jpg	xyz-file
3	-81.9857	jpg	xyz-file
4	-131.7377	jpg	xyz-file
5	-171.4493	jpg	xyz-file
6	-215.6528	jpg	xyz-file
7	-263.2332	jpg	xyz-file
8	-322.0015	jpg	xyz-file
9	-364.1718	jpg	xyz-file
10	-412.2175	jpg	xyz-file
11	-454.6107	jpg	xyz-file
12	-515.2663	jpg	xyz-file
13	-559.2707	jpg	xyz-file
14	-609.0753	jpg	xyz-file
15	-653.4254	jpg	xyz-file
16	-706.0035	jpg	xyz-file
17	-751.2771	jpg	xyz-file
18	-804.8519	jpg	xyz-file
19	-852.0514	jpg	xyz-file
20	-904.8941	jpg	xyz-file
21	-947.5069	jpg	xyz-file

All figures were produced with XCrySDen

¹Please cite Javier Hernández-Rojas, J. Bretón, J.M. Gomez Llorente, and David J. Wales, J. Phys. Chem. B 110, 13357 (2006).

Copyright © TCCL-Tsinghua Univ. 2012