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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019wat_set_Brpdpph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.76392258; Eh
thumbnail.jpeg3-Oct-2019wat_set_Brpdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-4772.13274687; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpf32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3981.39195785; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdph32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.73097353; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.55126417; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpme3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.55261342; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpme3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.54461040; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.71329797; 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-2019gas_set_Brpdpph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.73654736; Eh
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