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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpf3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.39446545; Eh
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-2019dmf_set_Brpdpf32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3981.39903775; Eh
thumbnail.jpeg3-Oct-2019dmf_set_PhBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-231.577805232; 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_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8470544207; Eh
thumbnail.jpeg3-Oct-2019dmf_set_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8471631874; Eh
thumbnail.jpeg3-Oct-2019gas_set1_PhBrpdpf32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-4213.03754841; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpme32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3621.67842070; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.75740508; Eh
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