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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2019thf_set_Brpdpf3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.38760443; 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_Brpdpf32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3981.39443340; 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-2019dmf_set_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8471631874; Eh
thumbnail.jpeg3-Oct-2019thf_set_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8470544207; Eh
thumbnail.jpeg7-Jul-2020NTs_tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* GENECP-874.183417106; Eh
thumbnail.jpeg7-Jul-2020HI1ctBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9867.38211325; Eh
Results 61-70 of 82 (Search time: 0.001 seconds).