Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5391624 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
B3LYP/6-31+G(d) and MP2/6-31+G(d) predict different structures for one Tyr-Gly conformer due to missing dispersion in B3LYP and large BSSE in MP2.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Leo F. Holroyd, Tanja van Mourik,