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Volumn 3, Issue 4, 1997, Pages 523-529

Investigations into the biosynthesis of porphyrins and corrins - calculations on 1,3-allylic strain and [1,5]-sigmatropic rearrangements in pyrroles, furans, and thiophenes

Author keywords

ab initio calculations; biosynthesis; porphyrinogens; rearrangements; semiempirical calculations

Indexed keywords


EID: 0031003723     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.19970030407     Document Type: Article
Times cited : (11)

References (37)
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    • This basis set is known to give relative energies that are in good agreement with experimental data: see K. B. Wiberg, E. Martin, J. Am. Chem. Soc. 1985, 107, 5035-5041.
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    • note
    • VAMP (T. Clark, Universität Erlangen-Nürnberg) is a vectorized version of AMPAC and MOPAC.
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    • note
    • To avoid confusion with the numbering of the unsubstituted heterocycles, the nonsubstituted carbon in 8-10 were numbered as C 2.
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    • note
    • The energies are not exactly identical in Figure 4 for both minima owing to different conformations of the methyl groups.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.