Correlated ab initio quantum chemical calculations of di- and trisaccharide conformations

@article{Gould2007CorrelatedAI,
  title={Correlated ab initio quantum chemical calculations of di- and trisaccharide conformations},
  author={Ian R. Gould and Hoda Abdel-Aal Bettley and Richard A. Bryce},
  journal={Journal of computational chemistry},
  year={2007},
  volume={28 12},
  pages={1965-73}
}
High level correlated quantum chemical calculations, using MP2 and local MP2 theory, have been performed for conformations of the disaccharide, beta-maltose, and the trisaccharide, 3,6-di-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranose. For beta-maltose, MP2 and local MP2 calculations using the 6-311++G** basis set are in good agreement, predicting a… CONTINUE READING