Phenol-Water System

Interaction Energies (Kcal/mol) for Eclipsed and

Staggered conformations (At 298 K)

0˚

60˚

120˚

180˚

Gas Phase

−27.4314

−26.4084

−27.3121

−26.5610

Aqueous Phase

−24.4211

−24.4787

−25.3121

−24.6658