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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Hellow Sir, Hope you are doing well! Sir I have a problem while optimizing the antheracene molecule
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Thank you so much for your posts. They are very helpful in my research. Can you please guide me how
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Hola Joaquín, vi que tú manejas el programa NBO. Sabes si las versiones más nuevas (NBO7) funcionan
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Hi sir, How to simulate emission spectra - fluorescence & phosphorescence spectra of organic com
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Similar calculations on the neutral molecule are giving normal termination without any trouble. Henc
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Dear Dr. Jaoquin, I am facing a problem in optimizing a cation using iefpcm model. The job is gettin
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Dear Dr. Jaoquin, I am trying to calculate Fukui coefficient. In my folder I have the original optim
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Dear Sir, I'm trying to manually modify the amount of HF in Minnesota global hybrid functionals such
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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.