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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpf3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.38207417; 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_PhBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-231.575014246; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.76576850; 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-2019dmf_set_Brpdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-4772.13182397; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpme3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.54796246; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-4772.10710056; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpme32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3621.69520566; Eh
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