How deeply should we analyze non-covalent interactions?
Timothy Clark
Abstract
Abstract Context Just how much effort and detail should we invest in analyzing interactions of the order of 5 kcal mol −1 ? This comment attempts to provide a conciliatory overview of what is often a contentious field and to pose some questions that I hope will eventually lead at least to some consensus. Methods This is an opinion article without calculations or data.
Topics & Concepts
Field (mathematics)EpistemologyOrder (exchange)Data scienceSociologyComputer scienceManagement sciencePsychologyEngineeringPhilosophyBusinessMathematicsFinancePure mathematicsCrystallography and molecular interactionsChemical Thermodynamics and Molecular StructureThermodynamic properties of mixtures