Abstract
Ab initio minimal basis LCAOSCF molecular orbital calculations have been performed on open chain dimers and trimers containing methanol and water. The equilibrium structures and energies of the dimers are determined and compared. The rigidity of the hydrogen bond in each dimer is discussed in terms of calculated intermolecular force constants. The energies of seven open chain trimers are presented and analyzed. It is found that the energies of all trimers deviate from additivity, indicating the existence of a cooperative effect in hydrogen bonding in these systems.
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