Computational chemistry is a branch of theoretical chemistry and quantum chemistry. The goal of computational chemistry is to produce and use software to study the properties (as energy, dipole moment , frequency of vibration ) of molecules and to a lesser extent, extended solid. It is also used to cover areas of overlap between the computer and chemical .
In theoretical chemistry, chemists and physicists develop algorithms and theories that allow accurate predictions of properties atomic or molecular pathways or for chemical reactions. The chemicals used computer programs and methodologies and apply them to specific chemical problems.
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