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3
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3
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0
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Energy of d(x²-y²) and d(xy) orbitals the same with respect to trigonal symmetry?
In the orbital splitting diagrams of trigonal planar and trigonal bipyramidal complexes the d$_{x² - y²}$ and d$_{xy}$ orbitals have the same energy. I have always assumed that this is because they ...
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2
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answers
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How do computational chemistry programs determine the irreducible representation of a molecular orbital?
I was coding a simple RHF code to test my understanding of computational chemistry when I stumbled upon this question. How exactly do computer programs like Gaussian, GAMESS-US etc. know which ...
- 1,105
1
vote
0
answers
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Why sigma bond has C2 symmetry not C∞?
I have seen some books indicated sigma bond has C2 symmetry. I understand pi and delta bond change their signs about C2 and C4 rotation about bond axis, but I don't understand why sigma bond has C2 ...
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