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Updated: Aug 15, 2026

Interfacial Molecular-level Structures of Polymers and Biomacromolecules Revealed via Sum Frequency Generation Vibrational Spectroscopy
Published on: August 13, 2019
[The hydration of acetylcholine and its conformation in solution]
Abstract:
Quantum-mechanical computations performed by the ab initio self-consistent field molecular orbital method have been used for the determination of the principal hydration sites of acetylcholine in its gauche et trans conformations. The hydration destabilizes the gauche form with respect to the trans one by about 2 kcal/mole. Taking into account, however, that the gauche form is 3 kcal/mole intrinsically more stable, this form still remains the most stable one of acetylcholine in solution.
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