Fig. 3: Potential energy profiles for the isomerization between 11A, 11B, and 11 C for (H2O)11.
From: Experimental determination of structural motifs of interference-free water undecamer cluster (H2O)11
Calculations were carried out at the MP2/AVDZ level of theory. The abbreviation “TS” stands for transition state and “IM” for intermediate. The corresponding structures are shown in Supplementary Fig. 12.
