A generalized free energy perturbation theory accounting for end states with differing configuration space volume.

Ullmann, R Thomas

A generalized free energy perturbation theory accounting for end states with differing configuration space volume. [electronic resource] - The journal of physical chemistry. B Jan 2011 - 507-21 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1520-5207

10.1021/jp1093838 doi


Computer Simulation
Entropy
Models, Molecular
Models, Theoretical
Monte Carlo Method
Thermodynamics