Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384301 | Chemical Physics Letters | 2011 | 11 Pages |
Abstract
âºDiscretization of the integral equations in implicit solvent models is considered. ⺠Certain discretizations afford large errors and converge to incorrect limits. ⺠One particular discretization is recommended for smooth PCM calculations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Adrian W. Lange, John M. Herbert,