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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN0_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--230.105615374; Eh
thumbnail.jpeg11-Mar-2018/PES_dp furan_MIN20_dpAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYP--229.380380476; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN31_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--228.694044200; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN34_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--229.954817896; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN4_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--230.070521148; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN5_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--230.054642628; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN6_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--230.049862408; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN30_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--228.755911716; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN32_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--228.829948230; Eh
thumbnail.jpeg11-Mar-2018/PES_3df2p furan_MIN33_3df2pAlcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--229.957460897; Eh
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