Tautomeric equilibria of heterocyclic molecules. A test of the semiempirical AM1 and MNDO-PM3 methods
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference101 articles.
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3. Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory
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