A Cyclic Periodic Wave Function Approach for the Study of Infinitely Periodic Solid-State Systems. I. Application to the C-H···π(C≡C) Hydrogen Bonding Systems.

However, there appears to be a slight trend occurring in their relative stabilities, that is, the tetrakis(4-ethynylphenyl)methane solid is predicted to be most stable with a hydrogen bond energy of 1.21 kcal/mol, and the tetrabutadiynylmethane solid is predicted to be least stable with a hydrogen bond energy of 0.92 kcal/mol.

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