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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jul-2020R2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-347.732015551; Eh
thumbnail.jpeg7-Jul-2020NTsBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-874.159159797; Eh
thumbnail.jpeg7-Jul-2020P3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.04855705; Eh
thumbnail.jpeg7-Jul-2020R1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9672.05337563; Eh
thumbnail.jpeg7-Jul-2020TpAgBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-8797.82295083; Eh
thumbnail.jpeg7-Jul-2020HI2csBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9867.48827269; Eh
thumbnail.jpeg7-Jul-2020HI1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9867.37076181; Eh
thumbnail.jpeg7-Jul-2020CH3CH2HCCCH2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-195.297660395; Eh
thumbnail.jpeg7-Jul-2020P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.03856755; Eh
thumbnail.jpeg7-Jul-2020HI2bsBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9867.47720105; Eh
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