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Manifold inversion on prediction dihedral angle from vicinal coupling constant with 3-sphere approach
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Dihedral angles are predicted from vicinal coupling constant 3JHH[Hz] with 3-sphere approach, sphere or torus trigonometric equations of circle 1, 2 and circle inversion 3-5 for all cis-, trans-ee, trans-aa stereochemistry. The existence of circle inversion was demonstrated with conformational analysis on five and six membered rings. The sign and the stereochemistry result from vicinal coupling constant under trigonometric equations confirmed by algebraic equations, Hopf and Lie algebra theory. 3-Sphere, a hypersphere in 4D enable for all stereochemistry calculation dihedral angles under magnetic wave (NMR data -3JHH[Hz]), and all isomers from only one vicinal coupling constant.
Romanian Academy - Revue Roumaine De Chimie
Title: Manifold inversion on prediction dihedral angle from vicinal coupling constant with 3-sphere approach
Description:
Dihedral angles are predicted from vicinal coupling constant 3JHH[Hz] with 3-sphere approach, sphere or torus trigonometric equations of circle 1, 2 and circle inversion 3-5 for all cis-, trans-ee, trans-aa stereochemistry.
The existence of circle inversion was demonstrated with conformational analysis on five and six membered rings.
The sign and the stereochemistry result from vicinal coupling constant under trigonometric equations confirmed by algebraic equations, Hopf and Lie algebra theory.
3-Sphere, a hypersphere in 4D enable for all stereochemistry calculation dihedral angles under magnetic wave (NMR data -3JHH[Hz]), and all isomers from only one vicinal coupling constant.
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