Theoretical Investigation of Glycine Micro-Solvated. Energy and NMR Spin Spin Coupling Constants Calculations

Glycine in its neutral form can exist in the gas phase while its zwitterion form is more stable in water solution, but how many waters are actually necessary to stabilize the zwitterionic structure in the gas phase? Are the intramolecular isotropic spin spin coupling constants sensitive enough to ac...

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Bibliographic Details
Main Authors: Maria Cristina Caputo, Patricio Federico Provasi
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Sci
Subjects:
Online Access:https://www.mdpi.com/2413-4155/3/4/41