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New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*

Serge S. Tratch
Marina S. Molchanova
Nikolai S. Zefirova

Puni tekst: engleski, pdf (231 KB) str. 339-353 preuzimanja: 515* citiraj
APA 6th Edition
Tratch, S.S., Molchanova, M.S. i Zefirova, N.S. (2006). New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*. Croatica Chemica Acta, 79 (3), 339-353. Preuzeto s https://hrcak.srce.hr/5626
MLA 8th Edition
Tratch, Serge S., et al. "New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*." Croatica Chemica Acta, vol. 79, br. 3, 2006, str. 339-353. https://hrcak.srce.hr/5626. Citirano 25.02.2021.
Chicago 17th Edition
Tratch, Serge S., Marina S. Molchanova i Nikolai S. Zefirova. "New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*." Croatica Chemica Acta 79, br. 3 (2006): 339-353. https://hrcak.srce.hr/5626
Harvard
Tratch, S.S., Molchanova, M.S., i Zefirova, N.S. (2006). 'New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*', Croatica Chemica Acta, 79(3), str. 339-353. Preuzeto s: https://hrcak.srce.hr/5626 (Datum pristupa: 25.02.2021.)
Vancouver
Tratch SS, Molchanova MS, Zefirova NS. New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*. Croatica Chemica Acta [Internet]. 2006 [pristupljeno 25.02.2021.];79(3):339-353. Dostupno na: https://hrcak.srce.hr/5626
IEEE
S.S. Tratch, M.S. Molchanova i N.S. Zefirova, "New Approaches to Degenerate Interconversions of Organic Structures: 1. Levels of Structural Degeneracy and Computer-aided Search for Degenerate Rearrangements*", Croatica Chemica Acta, vol.79, br. 3, str. 339-353, 2006. [Online]. Dostupno na: https://hrcak.srce.hr/5626. [Citirano: 25.02.2021.]

Sažetak
The general methodology of systematic search for degenerate interconversions must be based on a certain hierarchy of degeneracy. The levels and sublevels of the proposed hierarchy are represented by topological and structural types and subtypes of degeneracy, which correspond to specific equations and to graphs identifying them. Graph operations that enable an efficient search for arbitrary types of organic reactions are formulated, and problems specific to generation of degenerate transformations are considered. In conclusion, results of computer-aided search (using the ARGENT–1 software) for new heteroderivatives and structural analogs of the Cope reaction are discussed. Many of the rearrangements thus found (especially [3,3]-shifts in cations and anions, which have not been studied to date) can be subjects of experimental investigations.

Ključne riječi
degenerate interconversions; graph-based classification; reaction design problems; ARGENT–1 software; new "Cope-like" rearrangements

Hrčak ID: 5626

URI
https://hrcak.srce.hr/5626

Posjeta: 765 *