The pKa rule in light of local mode force constants
Mateus Quintano, Renaldo T. Moura, Elfi Kraka
Topics & Concepts
CocrystalProtonationAcid dissociation constantChemistryDissociation (chemistry)PyridineContext (archaeology)Dissociation constantComputational chemistryMoleculePhysical chemistryAqueous solutionHydrogen bondOrganic chemistryIonBiochemistryBiologyPaleontologyReceptorCrystallography and molecular interactionsComputational Drug Discovery MethodsMachine Learning in Materials Science