DFT Conformational Study of Calix[6]arene: Hydrogen Bond

) > 1,4-alternate ~ partial-cone > 1,2,3-alternate > 1,3,5-alternate > 1,3-alternate. One of the important factors affecting the relative stabili-ties of the various conformers of the calix[6]arenes is the number and strength of the intramolecular hydrogen bonds. The good stability of 1,2,3-alternate conformer of