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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019gas_set_Brpdph32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.71243567; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.76304263; Eh
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_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8465011750; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.53342641; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpf3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.39446545; Eh
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