Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids.It is essential because, apart from relatively recent results concerning the hydrogen …

The following outline is provided as an overview of and topical guide to chemistry: . Chemistry is the science of atomic matter (matter that is composed of chemical elements), especially its chemical reactions, but also including its properties, structure, composition, behavior, and changes as they relate to the chemical reactions. Chemistry is centrally concerned with atoms …