Eric E. Simanek

Engineering Intramolecular Hydrogen Bond Networks to Access Ensembles of Conformational Isomers of 24-Atom Macrocycles: Computation Corroborates Assignments and Predicts Structure

Abstract Intramolecular hydrogen bond (IMHB) networks contribute to the shape and physical properties of macrocycles. Understanding and ultimately engineering these networks represents a challenge to the field, both experimentally and computationally. Here, 24-atom triazine macro...