Matter Modeling
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MSwart
  • Member for 2 years, 1 month
  • Last seen more than a month ago
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All Questions Answers
Score Newest
answer
22
What are the types of charge analysis?
Jul 2, 2020
answer
9
Can DFT be considered an ab initio method?
Dec 29, 2020
answer
8
What are the types of bond orders?
Jul 7, 2020
answer
7
How to canonicalize SMILES written with aromatic bond symbols (:)?
May 18, 2021
answer
5
What is the closest thing we have to "the" universal density functional?
Jan 9
answer
5
A CCSD(T) geometry optimization in Gaussian09 is deviating too far from the minimum. How do I deal with it?
Aug 1, 2020
answer
4
Is this G16 molecular hyperpolarizability error reproducible in other software?
Aug 1, 2020

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