Furan

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-8-3
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PES_dp furan_TS15-16_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--229.952203422; Eh
thumbnail.jpeg/PES_dp furan_TS19-20_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01UB3LYP--229.278917153; Eh
thumbnail.jpeg/PES_dp furan_TS13-33_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevE.01RB3LYP--229.918703005; Eh
thumbnail.jpeg/PES_dp furan_TS13-f_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--229.876731666; Eh
thumbnail.jpeg/PES_dp furan_TS9-18_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--229.952004680; Eh
thumbnail.jpeg/PES_dp furan_TS2-25_dpAlcami Pertejo, ManuelGaussian; 09; EM64L-G09RevE.01RB3LYP--229.846681349; Eh
thumbnail.jpeg/PES_dp furan_MIN20_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01UB3LYP--229.380380476; Eh
thumbnail.jpeg/PES_dp furan_TS1-f2_dpAlcami Pertejo, ManuelGaussian; 09; AM64L-G09RevC.01RB3LYP--229.950565275; Eh
thumbnail.jpeg/PES_dp furan_MIN24_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevE.01UB3LYP--229.400218964; Eh
thumbnail.jpeg/PES_dp furan_TS13-14_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--230.002611951; Eh
thumbnail.jpeg/PES_dp furan_MIN23_dpAlcami Pertejo, ManuelGaussian; 09; AM64L-G09RevC.01UB3LYP--229.386161198; Eh
thumbnail.jpeg/PES_dp furan_TS13-17_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--229.940576557; Eh
thumbnail.jpeg/PES_dp furan_MIN22_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01UB3LYP--229.400544635; Eh
thumbnail.jpeg/PES_dp furan_TS10-11_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--230.020211654; Eh
thumbnail.jpeg/PES_dp furan_TS12-f_dpAlcami Pertejo, ManuelGaussian; 09; AM64L-G09RevC.01RB3LYP--229.997039143; Eh
thumbnail.jpeg/PES_dp furan_MIN21_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01UB3LYP--229.398289389; Eh
thumbnail.jpeg/PES_dp furan_MIN27_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--228.688349517; Eh
thumbnail.jpeg/PES_dp furan_MIN28_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--228.720217261; Eh
thumbnail.jpeg/PES_dp furan_MIN25_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--228.667832041; Eh
thumbnail.jpeg/PES_dp furan_MIN26_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01RB3LYP--228.755243259; Eh
Collection's Items (Sorted by in order): 1 to 20 of 200
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