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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019thf_dosmet240Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3661.515623; Eh
thumbnail.jpeg3-Oct-2019gas_dostransph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.558205; Eh
thumbnail.jpeg3-Oct-2019thf_dosmet240pf3newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-4021.2410075; Eh
thumbnail.jpeg3-Oct-2019thf_dostransPh240Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-4811.9643696; Eh
thumbnail.jpeg3-Oct-2019wat_dosmet240ph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.5670597; Eh
thumbnail.jpeg3-Oct-2019thf_onemetBpPh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3775.5890987; Eh
thumbnail.jpeg3-Oct-2019dmf_dosmet240pf3newcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-4021.2451675; Eh
thumbnail.jpeg3-Oct-2019thf_onemetBpf3bBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3380.233685; Eh
thumbnail.jpeg3-Oct-2019dmf_dostransPh240Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-4811.9556538; Eh
thumbnail.jpeg3-Oct-2019wat_onemetBpf3bBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3380.2414206; Eh
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