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Theoretical chemistry seeks to provide explanations to chemical and physical observations. Theoretical chemistry includes the fundamental laws of physics Coulomb's law, Kinetic energy, Potential energy, the Virial Theorem, Planck's Law, Pauli exclusion principle and many others to explain but also predict chemical observed phenomena.
In order to explain an observation one has to choose the "appropriate level of theory". For example, some theoretical methods (DFT) may not be appropriate to solve magnetic coupling or electron transitions properties. Instead, there are reports like Multireference configuration interaction (MRCI), which accurately and thoroughly explain the observed phenomena by means of the fundamental interactions.
Major components include quantum chemistry, the application of quantum mechanics to the understanding of valence, molecular dynamics, statistical thermodynamics and theories of electrolyte solutions, reaction networks, polymerization, catalysis, molecular magnetism and spectroscopy.
Historically, the major field of application of theoretical chemistry has been in the following fields of research:
Hence, the theoretical chemistry discipline is sometimes seen as a branch of those fields of research. Nevertheless, more recently, with the rise of the density functional theory and other methods like molecular mechanics, the range of application has been extended to chemical systems which are relevant to other fields of chemistry and physics like biochemistry, condensed matter physics, nanotechnology or molecular biology.
Classical mechanics, Energy, Quantum field theory, Albert Einstein, Electromagnetism
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Chemistry, Computational chemistry, /anic Chemistry, Spectroscopy, Physical chemistry
Quantum chemistry, Chemical kinetics, Statistical mechanics, /anic Chemistry, Physics
Genetics, Biology, Metabolism, Molecular biology, Chemistry
Chemistry, Analytical chemistry, Nobel Prize in Chemistry, Physical chemistry, Periodic table
Computer science, Chemistry, Quantum mechanics, Schrödinger equation, Machine learning
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Nobel Prize in Chemistry, Boron, Biochemistry, University of Kentucky, California Institute of Technology