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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019thf_set_Brpdpme32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3621.69453082; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpme32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3621.67602996; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpme32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3621.69863176; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpf3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.37094887; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.55962898; Eh
thumbnail.jpeg3-Oct-2019gas_set_pdpf32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-1409.62482632; Eh
thumbnail.jpeg3-Oct-2019gas_set_PhBrBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-2803.08064130; Eh
thumbnail.jpeg3-Oct-2019gas_set_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8465011750; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpf32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3981.39443340; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.53342641; Eh
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