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Raphaël

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

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34 Is it possible to achieve a level of “truly zero” concentration? Aug 7 '20
8 Is it rigorous enough to change a DFT functional after geometry optimization to calculate excited state properties? Dec 16 '20
8 Three stacked arrows, what does it signify? Sep 17 '20
6 Why is tert-butoxide often used in elimination reactions when it is not necessary? Aug 13 '19
6 What are the constraints on the two electron integral matrix? Aug 4 '19
5 Developing Computational Chemistry Software Jul 4 '19
5 Can you call H_2 an Atom? May 12 '20
4 Volume of a gas Aug 7 '19
4 Which of the free access molecular modelling program apply the B3LYP/G-31G(d,p) level of theory? Aug 1 '19
4 Finding mathematically the ground state density in DFT Aug 12 '19
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