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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Hi, I am new to computational chemistry and my project now involves the use DFT calculations to find
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hello professor,I am trying to create a wfn file for guanidinium and water interaction.to optimize t
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Dear Dr. Joaquin Barroso, I want to do BSSE correction of H3O+(H2O)4 system, So for this, I am givin
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Dear Dr Joaquin Barroso I am trying to calculate the Spin Orbit Coupling (SOC) of some molecules. I
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Dear Jack, Have you tried re-orienting the molecule? Try making your Cs or C2 axis lie over the z-ax
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