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Is it possible to predict the molecular interaction between any two molecules analytically or through some simulation mechanism based upon analytical theory?

I see a rather big gap between, say Quantum Mechanics and chemistry and I'm wondering if you can derive chemical reactions from base principles.

FourierFlux
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  • There is dynamically evolving field of quantum chemistry ( search e.g. for the Praque school of Q.CH., founded by prof Rudolf Zahradník), used e.g. as preselection step of searching for potential drug candidate, before any synthesis and testing is ever done. Another application is quantum and statistical simulation of behaviour of limited atom counts, like process leading to Coulombic explosion of alkali metals with water.. – Poutnik Mar 20 '22 at 17:50
  • So there is no way to derive the interactions possible? Or at least write out their governing equations and simulate? That seems very surprising and kind of terrible lol. – FourierFlux Mar 20 '22 at 17:58

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