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MSwart

Apparently, this user prefers to keep an air of mystery about them.

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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
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 Is this G16 molecular hyperpolarizability error reproducible in other software? Aug 1 '20

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