Questions tagged [mathematical-chemistry]

Questions related to mathematical chemistry which include application of mathematics to problems in chemistry and the development of mathematical methods suitable for such applications and for the formulation of chemical theories.

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What are double groups mathematically?

In physics and chemistry, there is the concept of double groups. These are double covers of the usual point groups, obtained by "adding an element $R$, which represents rotation by $2\pi$" ...
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11 votes
2 answers
672 views

Character theory and Quantum Chemistry

Who (presumably a chemist) realized first the efficiency of character theory in calculations of orbitals of atoms? In which year?
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11 votes
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On mathematical studies of the Mpemba effect

Since the days of Aristotle and Descartes, it has been known that under certain circumstances warm water freezes faster than cold water. This effect is now commonly known as the Mpemba effect, named ...
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