Theoretical Chemistry

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Theoretical chemistry is the discipline that uses quantum mechanics, classical mechanics, and statistical mechanics to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties.

Theoretical chemistry seeks to provide theories and explanations for chemical observations whilst also posing questions to be answered by future experiments.

Theoretical chemistry at Harvard covers a broad range of topics from electronic structure theory to protein folding, and brings chemical principles to bear on disciplines not traditionally associated with chemistry.

Latest Theoretical Chemistry news as it happens! A comprehensive list of the latest chemistry news and articles from the field of Theoretical Chemistry.

Theoretical Chemistry - Encyclopedia.com has Theoretical Chemistry articles, Theoretical Chemistry pictures, video and information at Encyclopedia.com.

Because theoretical chemistry lies at the interfaces among chemistry, physics, mathematics, and computational science, and because it has been greatly affected by the explosive growth in computer technology, it is an exciting and ever-more-important area of modern chemistry education and research.

The advent of computers has revolutionized the approach toward understanding chemistry at a fundamental level far beyond what is capable with traditional pen and paper.

Theoretical chemistry seeks to provide explanations to the chemical and physical observations of molecules. 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 and predict chemical observed phenomena.

Theoretical chemistry is the examination of the structural and dynamic properties of molecules and molecular materials using the tools of quantum chemistry, equilibrium and nonequilibrium statistical mechanics, and dynamics. Molecular orbital calculations applied to organic and inorganic molecules, solids, and surfaces have illuminated profound connections between inorganic and organic chemistry and solid-state physics.