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Chemistry
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M06-2x
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answer
3
Why are p orbitals most important for stability?
Jun 18, 2023
answer
3
Why does Cr have higher melting point in the 4 period among the transition metal?
Jul 28, 2023
question
2
Why does Hartree-Fock overestimate the energy gap?
Aug 28, 2022
answer
2
Atomic terms and perturbation theory
Jun 17, 2023
answer
2
Does an ionic bond have a dipole?
Jun 26, 2023
answer
2
Delta Bond Or Pi Bond, Which Is More Strong?
Jun 27, 2023
answer
2
How do the ions in electrolytes lead to lower dielectric constants compared to pure water?
Jun 28, 2023
answer
2
Why is there a non-uniformity in even the reasons that explain exceptions in the trends in chemistry?
Jul 8, 2023
answer
2
electron - electron repulsion and shielding effect
Jul 23, 2023
answer
2
If a crystal has multiple oxidation states of the same transition metal element, is there only one possible configuration?
Jul 24, 2023
Top network posts
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10
Free and optimized code for Hartree-Fock calculation in solids
8
Why is chemical bond dissociation difficult to simulate?
8
Which strategy of improving the DFT band gap is the most effective?
6
Calculate the energy of a single electron in an atom
5
Frozen core Stability Calculations in G09?