One by one the interactions with the cavity were calculated
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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Hello professor Barroso, Thank you for this instructional post! I really appreciate it! I had a quic
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Dear sir, I am facing the problem while opening .chk or .fchk file in GaussView 6.0.16. SCUtil_Conne
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Dear Dr. Barroso I am doing a optimization of a organic polymer. After running for 5 hrs I get an er
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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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