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- W2034409804 abstract "Distribution of charges, derived for the cholinergic substrates acetylcholine and carbamylcholine using the EHT and CNDO/2 quantum mechanical techniques, have been used to compute the conformational energy of the two molecules by the pairwise addition of van der Waals non-bonded interactions, torsional potentials and electrostatic interactions. There is a variation in the energy sequence of the four low-energy conformations previously derived by neglecting the electrostatic energy, but they continue to be allowed supporting the view of a high degree of conformational freedom." @default.
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- W2034409804 date "1972-01-01" @default.
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- W2034409804 title "Electrostatic stabilization of cholinergic substrates" @default.
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- W2034409804 doi "https://doi.org/10.1016/0022-5193(72)90050-1" @default.
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