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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019wat_set_Brpdpf3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.39551958; Eh
thumbnail.jpeg3-Oct-2019wat_set_Brpdpf3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3340.39518749; 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-2019wat_set_PhBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-231.577879224; Eh
thumbnail.jpeg3-Oct-2019wat_set_MeBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) GEN-39.8471784708; Eh
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-2019thf_set_Brpdpph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.76576850; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3735.74190233; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-4772.12616437; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-4772.13182397; Eh
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