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Raphaël

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

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  • Member for 7 years, 5 months
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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
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
4 How do chemists find a procedure to produce a given substance? Feb 23 '13
3 Determining the torsion energy profile of butadiene by molecular dynamics May 6
3 I'd like to model some compounds with DFTB, but some elements don't have parameter files in the official site. Is there a workaround? Apr 25
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