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2 votes

Specify Molecular Visualization Dimension

I was digging through the CDK code and found the solution. The following worked. ...
Velusamy Velu's user avatar
8 votes

Inconsistencies in a famous point group table

After hours of conversation with three participants including me, I can make the following conclusions. Answer to the question It's likely an unintentional "error" in the publication. In ...
Nike Dattani's user avatar
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3 votes

Does the relaxed density (and therefore the relaxed orbitals) depend on the final energy in OO-DHDF+D calculations?

The DFT-D family of corrections, including DFT-D2, DFT-D3 and DFT-D4, are energy corrections that depend on the atomic coordinates but not the wavefunction. (The DFT-D4 energy does depend on atomic ...
wzkchem5's user avatar
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