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Theoretical chemistry

From Simple English Wikipedia, the free encyclopedia

Theoretical chemistry tries to explain data from chemistry experiments. It uses mathematics and computational analysis. Theoretical chemistry predicts what happens when atoms combine to form molecules. It also predicts chemical properties (characteristics) of molecules. An important part of theoretical chemistry is quantum chemistry.

More reading[change | change source]

  • Attila Szabo and Neil S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, Dover Publications; New Ed edition (1996) ISBN 0486691861, ISBN 978-0486691862
  • Robert G. Parr and Weitao Yang, Density-Functional Theory of Atoms and Molecules, Oxford Science Publications; first published in 1989; ISBN 0-19-504279-4, ISBN 0-19-509276-7