Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5379757 | Chemical Physics Letters | 2015 | 6 Pages |
Abstract
Distributions of the number of first-shell ligands, selected only for the first 20Â ps of the ONIOM-XS MD data collection: (a) H2OÂ +Â NH3 and (b) H2O and NH3.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Pilailuk Kabbalee, Pattrawan Sripa, Anan Tongraar, Teerakiat Kerdcharoen,