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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2019gas_set_Brpdph32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.71243567; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpf3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.38760443; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.54566276; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.51791028; Eh
thumbnail.jpeg3-Oct-2019thf_set_PhBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-231.577292873; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpme32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3621.69162770; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.77090041; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.73654736; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpme3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.52470115; Eh
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