| Literature DB >> 18000868 |
Abstract
Palermo et al. have recently published a method to correct for intramolecular basis set superposition errors (J Comput Chem 2007, 28, 1208) in intramolecular interactions occurring in peptides. By considering the intermolecular equivalent of this method, it is shown that the method presented by Palermo et al. underestimates the magnitude of the intramolecular BSSE.Entities:
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Year: 2008 PMID: 18000868 DOI: 10.1002/jcc.20869
Source DB: PubMed Journal: J Comput Chem ISSN: 0192-8651 Impact factor: 3.376