All Questions
4
questions
2
votes
0
answers
95
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What is the largest known zero-point energy for a molecule?
I was surprised to find out that the zero-point energy (ZPE) for the ground state of $\ce{BH3}$ is a few thousand $\pu{cm-1}$, because for molecules I usually work with, it's much smaller. Does anyone ...
- 1,452
6
votes
1
answer
283
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What advantage is there in reporting the Lennard-Jones well depth in wavenumber units?
The Lennard-Jones well depth $\epsilon$ is typically given in energy units ($\mathrm{kJ}$ or $\mathrm{kcal}$; sometimes per mole). Jasper and Miller, however, reported $\epsilon$ values in reciprocal ...
- 4,265
7
votes
2
answers
1k
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How to explain Born repulsion between ions in gas phase?
In simple terms, the collision of two atoms $\ce{A}$ and $\ce{B}$ will result in ions $\ce{A^+}$ and $\ce{B^-}$ if $$I_a(\ce{A})+E_a(\ce{A})<I_a(\ce{B})+E_a(\ce{B})$$ where $I_a$ and $E_a$ are the ...
- 7,111
4
votes
1
answer
208
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Plasma creation and condensation
Every chemical has a decomposition temperature. My understanding is that above that temperature molecular bonds are broken. And if we raise the heat high enough then all molecular bonds will break ...
- 3,340