Table 1 Relative energy of average structures of cluster obtained from simulations with four Ph7T8-T8Et7 molecules.

From: Preparation of T8 and double-decker silsesquioxane-based Janus-type molecules: molecular modeling and DFT insights

System obtained from four Ph7T8-T8Et7 structures

Relative energy [kcal/mol]

Cluster 1

121.1

Cluster 2

0.0a

Cluster 3

79.0

Cluster 4

406.4

Cluster 5

170.1

Cluster 6

225.1

Cluster 7

112.0

Cluster 8

197.1

  1. Absolute energy [hartree]: a −38337.7352919.
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