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Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors

Hiroko Satoh

Puni tekst: engleski, pdf (361 KB) str. 217-225 preuzimanja: 446* citiraj
APA 6th Edition
Satoh, H. (2007). Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors. Croatica Chemica Acta, 80 (2), 217-225. Preuzeto s https://hrcak.srce.hr/12859
MLA 8th Edition
Satoh, Hiroko. "Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors." Croatica Chemica Acta, vol. 80, br. 2, 2007, str. 217-225. https://hrcak.srce.hr/12859. Citirano 27.10.2020.
Chicago 17th Edition
Satoh, Hiroko. "Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors." Croatica Chemica Acta 80, br. 2 (2007): 217-225. https://hrcak.srce.hr/12859
Harvard
Satoh, H. (2007). 'Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors', Croatica Chemica Acta, 80(2), str. 217-225. Preuzeto s: https://hrcak.srce.hr/12859 (Datum pristupa: 27.10.2020.)
Vancouver
Satoh H. Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors. Croatica Chemica Acta [Internet]. 2007 [pristupljeno 27.10.2020.];80(2):217-225. Dostupno na: https://hrcak.srce.hr/12859
IEEE
H. Satoh, "Numerical Representation of Three-dimensional Stereochemical Environments Using FRAU-descriptors", Croatica Chemica Acta, vol.80, br. 2, str. 217-225, 2007. [Online]. Dostupno na: https://hrcak.srce.hr/12859. [Citirano: 27.10.2020.]

Sažetak
Numerical representation of stereochemical environments using FRAU (Field-characterization for Reaction Analysis and Understanding)-descriptors has been investigated. Correlations were analyzed between the FRAU-descriptors and stereochemical environments around an oxygen atom of cyclohexanol with chair form and oxygen atoms of all of the diastereo isomers of 1,2- cyclohexanediol, 1,3-cyclohexanediol, 1,4-cyclohexanediol, and 1,2,3,4,5-cyclohexanepentol with all possible chair form conformations. Good correlations were found between the FRAUdescriptors and 3D stereochemical environments.

Ključne riječi
FRAU-descriptors; 3D stereochemical environments; quantification; axial and equatorial orientations

Hrčak ID: 12859

URI
https://hrcak.srce.hr/12859

Posjeta: 698 *