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Conformational Schemes: An Available Tool for the Assignment of NMR‐Measured Barriers, Demonstrated with the Example of Crowded Piperidines
Author(s) -
Belostotskii Anatoly M.,
Gottlieb Hugo E.,
Aped Pinchas,
Hassner Alfred
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19990201)5:2<449::aid-chem449>3.0.co;2-a
Subject(s) - piperidine , chemistry , computational chemistry , stereochemistry , crystallography
MM3‐Derived conformational schemes for systems with complex conformational dynamics, such as the substituted piperidine depicted here, permit the assignment of NMR‐measured barriers to the corresponding processes.