Theoretical chemistry seeks to provide theories and explanations for chemical observations whilst also posing questions to be answered by future experiments. Playing a key role in physical chemistry, it uses the laws of physics to predict molecular structure, dynamics, bonding, reactivity, physical properties and spectroscopic response. Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms. The Theoretical and Computational Chemistry section focuses on the development and state-of the-art applications of theoretical and computational approaches in chemistry and related disciplines. It publishes quality research dealing with problems relating to structure, dynamics, interactions, reaction mechanisms, reaction rates and catalysis involving atoms, molecules, clusters, nano-structures, surfaces and bulk matter.