Unveiling Zwitterionization of Glycine in the Microhydration Limit
Ravi Tripathi, Laura Durán Caballero, Ricardo Pérez de Tudela, Christoph Hölzl, Dominik Marx
Abstract
= 10 and become overwhelmingly abundant in the stable zwitterion. The findings offer potential insights into charge separation under solvation stress conditions beyond the present example.
Topics & Concepts
ZwitterionSolvationMetadynamicsChemistryChemical physicsCharge (physics)MoleculeComputational chemistryAb initioThermodynamicsMolecular dynamicsPhysicsOrganic chemistryQuantum mechanicsSpectroscopy and Quantum Chemical StudiesElectrochemical Analysis and ApplicationsCrystallization and Solubility Studies