H. S. Ashbaugh

Publication List Details

Period

2002 - 2005

Number

7

Co-Authors

Absolute Hydration Free Energies of Ions, Ion-Water Clusters, and Quasi-chemical Theory (2003)

Asthagiri, D., Pratt, Lawrence R., Ashbaugh, H. S.

Experimental studies on ion-water clusters have provided insights into the microscopic aspects of hydration phenomena. One common view is that extending those experimental studies to larger cluster...

Hydration and conformational equilibria of simple hydrophobic and amphiphilic solutes.

Ashbaugh, H S, Kaler, E W, Paulaitis, M E

We consider whether the continuum model of hydration optimized to reproduce vacuum-to-water transfer free energies simultaneously describes the hydration free energy contributions to conformational...

Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes.

Ashbaugh, H S, Garde, S, Hummer, G, Kaler, E W, Paulaitis, M E

Conformational free energies of butane, pentane, and hexane in water are calculated from molecular simulations with explicit waters and from a simple molecular theory in which the local hydration...

Hydration and conformational equilibria of simple hydrophobic and amphiphilic solutes.

Ashbaugh, H S, Kaler, E W, Paulaitis, M E

We consider whether the continuum model of hydration optimized to reproduce vacuum-to-water transfer free energies simultaneously describes the hydration free energy contributions to conformational...

Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes.

Ashbaugh, H S, Garde, S, Hummer, G, Kaler, E W, Paulaitis, M E

Conformational free energies of butane, pentane, and hexane in water are calculated from molecular simulations with explicit waters and from a simple molecular theory in which the local hydration...