1 article(s) from de Melo, Ulisses Z
Conformations of cis-2-halocyclohexylamines, where X = F, Cl, Br and I.
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Variable-temperature 1H NMR spectra (500.13 MHz) for cis-2-chlorocyclohexylamine in dichloromethane-...
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Potential energy surfaces (PESs) for cis-2-halocyclohexylamines for the C2–C1–N–H dihedral angle ro...
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Populations of rotamers a, gX e gH in ae (top) and ea (bottom) conformers of cis-2-halocyclohexylam...
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Nitrogen lone pair in rotamers gX (ae) and a (ea) oriented towards the halogen, making these rotame...
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PCA for 22 variables corresponding to the hyperconjugative interactions for all rotamers in ae and ...
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Sum of bonding (donor) and antibonding (acceptor) orbitals interactions of C1–H, C2–X and C3–Hax bo...
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Orbitals overlap of σC1–H → σ*C2–X (left) and σC3–Hax → σ*C2–X (right) hyperconjugations in ea conf...
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Beilstein J. Org. Chem. 2019, 15, 818–829, doi:10.3762/bjoc.15.79
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