Ab initio and density functional study of the conformational space of ¹C4 α-L-fucose

Autor:	Csonka, Gabor I., Éliás, Krisztina, Csizmadia, Imre G.
Zdroj:	Journal of Computational Chemistry; February 1997, Vol. 18 Issue: 3 p330-342, 13p
Abstrakt:	The conformational space of 1C4 α-L-fucose was searched by the MM2*-SUMM molecular mechanics conformational search technique. The molecular geometries of the first 17 structures of lowest energy were analyzed at the HF/3-21G, 6-31G(d), and generalized gradient approximation (GGA) DFT levels of theory. © 1997 by John Wiley & Sons, Inc.
Databáze:	Supplemental Index
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