Article ID Journal Published Year Pages File Type
5390695 Chemical Physics Letters 2008 5 Pages PDF
Abstract
Expressions for the analytical gradients of the PM1 polarization model for describing the interaction of excess electrons with water clusters are reported.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Analytical gradient for geometry optimizations of (H2O)n- clusters as described by the PM1 polarizable model
Authors
, ,