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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Hello sir, I am optimizing the structure of nanowires at HF/STO-3g*. I have given a key word of SCF(
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Hello Dear Dr Barroso I have a problem, would it be possible to calculate BSSE (counterpoise), using
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Dear Prof. Barroso, I am trying to simulate a magnetic data in PHI software but I am facing problem.
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All missing ideas should also be incorporated here in https://joaquinbarroso.com/questions/#comment-
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Hi Sir May I know the best method/software to plot the electron density of porphyrins? Also, it woul
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Hello! I am trying to optimize a geometry of a bimetallic complex with La3 + and Mn2 +. The total lo
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Hello Dr., please the same question asked by Erick Alfonso. Many tanks! Your boog is so grea!t
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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.