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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Hi everyone, I am a beginner of Gaussian and have to run an ONIOM calculation on a protein-ligand co
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Dear Professor, I get confused about setting the multiplicity. I want to calculate Fukui indices for
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Hi, I am beginner of Gaussian. I have a difficulty in draw the structure. I have the available geome
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Dear Dr. Joaquin Barroso-Flores I run a single point calculation with Gaussian09, revision A.02. My
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Hi, I am trying to optimize two noncovalently interacting molecules with desired orientation. For fr
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hi, I am trying to optimize a corticosteroid. however, I end up getting a structure where two aromat
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Hi, I am trying to do B2PLYP calculation using aug-pc2+2d basis set developed by JL Martin for HClO4
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how can apply Dispersion DFT-D2 in Gaussian 09?
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