Fig. 2: Identified structures of (H2O)11 (O, red; H, light gray).
From: Experimental determination of structural motifs of interference-free water undecamer cluster (H2O)11
Relative energies from MP2/AVDZ and DLPNO-CCSD(T)/AVTZ (in parenthesis) are listed in kcal/mol. The hydrogen-bonding sites are classified as AD, AAD, ADD, and AAAD configurations according to the number of proton-acceptor (A) and proton-donor (D) hydrogen bonds, respectively.
