Chemistry
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Eric J

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

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  • San Francisco, CA
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  • Member for 2 years, 4 months
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  • Last seen 2 days ago

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10 Is ground-state structure of a molecule entirely determined by the positions of the nuclei? May 2 '18
6 Why are the calculated NMR values on the DFT & GIAO level of cyclopentane-1,3-dione so far off? Oct 8 '18
3 Ab initio molecular properties which can be experimentally measured and don't require derivatives/gradients Sep 14
2 GGA functionals requiring second derivatives? Aug 30
2 Q-chem equivalent solvent settings for Gaussian NMR ab inito methods Nov 19 '18
0 GGA functionals requiring second derivatives? Sep 5

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