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Explore your own quantum chemical results by uploading a CSV file with reactions as rows, model

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CSV Data File

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Project Name

Sample CSV for S22

DB,B3LYP-Zero-adz,B3LYP-Zero3-tag-adz,None,B3LYP-tag2-adz,B3LYP--augl S22-1,-80.82884,-80.85289,-80.82721,-80.57170,None 2,-2.06509,-2.07643,-2.26802,-1.93314,-1.76487 S22-4,1.12047,1.12675,0.67807,1.15000,1.29962 S22-5,-16.88970,-16.89207,-17.07200,-16.62214,-16.54144 S22-20,-1.64060,-1.62220,-1.60766,-1.63657,-1.62983 S22-9,-0.83420,-0.82415,-0.85732,-0.74193,-0.68708 10,-0.65169,-0.65323,-0.72042,-0.55759,-0.49542

Note the absence of spaces and None to signal ignore.