Theoretical Chemistry and Computational Modelling

Chemistry is the scientific discipline involved with compounds composed of atoms, i.e. elements, and molecules, i.e. combinations of atoms: their composition, structure, properties, behavior and the changes they undergo during a reaction with other compounds. Chemistry addresses topics such as how atoms and molecules interact via chemical bonds to form new chemical compounds. There are four types of chemical bonds: covalent bonds, in which compounds share one or more electron(s); ionic bonds, in which a compound donates one or more electrons to another compound to produce ions (cations and anions); hydrogen bonds; and Van der Waals force bonds.

Theoretical chemistry is a branch of chemistry, which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry, for example, the concept of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, molecule activation etc.