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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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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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which software do you use to generate those 3D molecules? They look pretty.
Thanks! We use Qutemol which is free of use. It works only with PDB files but Open Babel can be used to transform your inputs into suitable files.