Matter Modeling
MSwart
  • Member for 1 year, 6 months
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All Questions Answers
Votes Newest
19
What are the types of charge analysis?
Jul 2 '20
9
Can DFT be considered an ab initio method?
Dec 29 '20
8
What are the types of bond orders?
Jul 7 '20
7
How to canonicalize SMILES written with aromatic bond symbols (:)?
May 18 '21
5
A CCSD(T) geometry optimization in Gaussian09 is deviating too far from the minimum. How do I deal with it?
Aug 1 '20
4
What is the closest thing we have to "the" universal density functional?
Jan 9
4
Is this G16 molecular hyperpolarizability error reproducible in other software?
Aug 1 '20

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