Molecular Electronic Structure Group

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icon location Florianópolis, Brazil icon location ⚛️📈 Molecular Electronic Structure Group

Results 2 repositories owned by Molecular Electronic Structure Group

pnictogen

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⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages

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overreact

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⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

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