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- W2950511027 abstract "Using molecular mechanics (MM3 force field)-based methodology, conformational dynamics have been studied for 1-azabicyclo[2.2.0]hexane, 1-azabicylo[3.3.0]octane, and 1-azabicylo[4.4.0]decane. Obtained conformational schemes describe the flexibity of these parent azabicyles as well as permit us to estimate conformational mobility in related N-fused systems. Quantum mechanics ab initio calculations have been used in order to check the reliability of molecular mechanics-provided estimates of relative energy of conformers. The previous dynamic NMR (DNMR) data have been reinterpreted for some polycyclic alkaloids." @default.
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- W2950511027 date "2003-07-29" @default.
- W2950511027 modified "2023-09-26" @default.
- W2950511027 title "Conformational Dynamics in Nitrogen-Fused Azabicycles." @default.
- W2950511027 cites W2158699965 @default.
- W2950511027 doi "https://doi.org/10.1002/chin.200330033" @default.
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