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Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives
- 1.0351375 - ÚOCHB 2011 RIV DK eng J - Journal Article
Buděšínský, Miloš - Císařová, I. - Podlaha, J. - Borremans, F. A. M. - Martins, J. C. - Waroquier, M. - Pauwels, E.
Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives.
Acta Crystallographica Section B-Structural Science. B66, č. 6 (2010), s. 662-677. ISSN 0108-7681
R&D Projects: GA ČR GA203/09/1919
Institutional research plan: CEZ:AV0Z40550506
Keywords : cyclic dipeptides * DFT calculations * X-ray * computational study
Subject RIV: CC - Organic Chemistry
Impact factor: 1.829, year: 2010
The crystal structures of a set of eight closely-related cyclodipeptides are determined. By comparing with DFT gas-phase and periodic calculations, the intra- and intermolecular interactions governing these crystals are investigated.
Permanent Link: http://hdl.handle.net/11104/0191141
Number of the records: 1