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Mutagenic Properties of 5-Halogenuracils: Correlated Quantum Chemical ab Initio Study†

✍ Scribed by Hanus, Michal; Kabeláč, Martin; Nachtigallová, Dana; Hobza, Pavel

Book ID
115494636
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
87 KB
Volume
44
Category
Article
ISSN
0006-2960

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## Abstract High level correlated quantum chemical calculations, using MP2 and local MP2 theory, have been performed for conformations of the disaccharide, β‐maltose, and the trisaccharide, 3,6‐di‐__O__‐(α‐D‐mannopyranosyl)‐α‐D‐mannopyranose. For β‐maltose, MP2 and local MP2 calculations using the