scs217
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Why is H₂O V shaped?
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13 votes

The oxygen atom fills its octet rule by forming two bonds. It shares 1 electron in a covalent bond with each hydrogen and has 4 remaining valence electrons. It is sp$^3$ hybridized and has the 4 non-...

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What are simple applications of Monte Carlo simulations in chemistry, that can be done in Matlab?
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6 votes

I've done a little simulation as a senior year elective, though not in Matlab. Can you be a little more specific about how/what you're trying to model with nanoparticle growth? Perhaps direct us to an ...

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Which computational method/basis set should I use for small molecular ions?
Accepted answer
4 votes

$\ce{H2+}$ or $\ce{H3+}$ have unpaired electrons because they are ions. Due to this, you should be using an unrestricted shell theoretical model which doesn't restrict electrons to paired (closed ...

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