Conformational analysis of model compounds of vitamin D by theoretical calculations

Journal of Computational Chemistry

Volumn 18, Issue 13, 1997, Pages 1647-1655

  Martínez Núñez, Emilio ^a   Vázquez, Saulo A ^a   Mosquera, Ricardo A ^b  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^b UNIVERSITY OF VIGO   (Spain)

Author keywords

Ab initio calculations; Conformational analysis; Semiempirical calculations; Steroid hormones; Vitamin D

Indexed keywords

EID: 0001662116     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199710)18:13<1647::AID-JCC6>3.0.CO;2-R     Document Type: Article

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26. These computations were performed considering the NAa conformation for the main fragment, and the anti arrangement tor the side chain.