The chemical formula of a covalent molecular substance gives the number of atoms per molecule. The formula of a covalent network or ionic compound gives the simplest ratio of atoms/ions in the ...

It is important to note that certain of these chemical shifts and functional groups overlap each other, including atoms other than hydrogen, oxygen and carbon. It is beneficial to omit these since it ...

Chemical predictive modelling encompasses empirical computational methods based on observed patterns in data that guide the design of future compounds. Simple physicochemical property-based guidelines ...