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Adsorption
The interaction of solids with gases is in itself a very rich subject which finds many scientific and technological applications. The...
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The Debye Solid
When it comes to the properties of crystals, there are two central models in statistical mechanics. One is the the Einstein crystal,...
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Nuclear Partition Functions
With the electronic contribution to the total energy available we can aim at describing nuclear motion and accounting for it in the...
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Electronic Partition Functions
But in order to go from the properties of one molecule to the properties of a large ensemble of them, we require a specific set of...
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Quantum Mechanical Basis
Only with the advent of quantum mechanics it was possible to delve into the microscopic world of molecules and particles. Without the...
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Zero Differential Overlap and the CNDO Methods
The next advent in semiempirical methods comes with the introduction of the zero differential overlap approximation, which states that...
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