Calculations are presented for the structures of various conformers of the bare proline and proline – (H2O) cluster. The effects of hydrogen bonding with a water molecule on the relative stability of the low energy conformers of proline are examined...
Calculations are presented for the structures of various conformers of the bare proline and proline – (H2O) cluster. The effects of hydrogen bonding with a water molecule on the relative stability of the low energy conformers of proline are examined. Microsolvation by a water molecule is predicted to affect the relative stability, structures and the infrared frequencies of the conformers to a large degree.