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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2019wat_set_Brpdpf32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3981.39977991; 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-2019dmf_set_Brpdpph3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.76304263; Eh
thumbnail.jpeg3-Oct-2019thf_dostransph3newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.5674494; Eh
thumbnail.jpeg3-Oct-2019thf_dostransph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.5674494; Eh
thumbnail.jpeg3-Oct-2019thf_dosmet240ph3freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3425.5631103; Eh
thumbnail.jpeg3-Oct-2019gas_dosmet240Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3661.4914595; Eh
thumbnail.jpeg3-Oct-2019thf_dosmet240ph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.5605606; Eh
thumbnail.jpeg3-Oct-2019dmf_onemetBBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3200.3744059; Eh
Results 1051-1060 of 1854 (Search time: 0.002 seconds).