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QUANTUM CHEMISTRY – MOLECULES FOR INNOVATIONS

Molecules, small structures composed of atoms, are essential substances for lives.
However, we didn’t have the clear answer to the following questions until the 1920s:
why molecules can exist in stable as rigid networks between atoms, and why
molecules can change into different types of molecules. The most important event for
solving the puzzles is the discovery of the quantum mechanics. Quantum mechanics is
the theory for small particles such as electrons and nuclei, and was applied to
hydrogen molecule by Heitler and London at 1927. The pioneering work led to the
clear explanation of the chemical bonding between the hydrogen atoms. This is the
beginning of the quantum chemistry. Since then, quantum chemistry has been an
important theory for the understanding of molecular properties such as stability,
reactivity, and applicability for devices.

Từ khóa: Quantum Chemistry, Numerical Solution, Method Employing, Molecular Properties, Electronic Structures, Isatin Thiosemicarbazones

212 p tailieu_thuvienbrvt 25/11/2012 209 3

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