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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019thf_dosmet240ph3freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3425.5631103; Eh
thumbnail.jpeg3-Oct-2019thf_dostranspf3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-4021.2318852; 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-2019dmf_dosmet240bBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3661.5065429; Eh
thumbnail.jpeg3-Oct-2019thf_onemetBbBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3200.3852131; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_c_transnoulliu_freqreadBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP6-31+G(D,P) SDD GEN-3853.28331552; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_c_transnoulliunouBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) SDD-3853.28331398; Eh
thumbnail.jpeg3-Oct-2019ircfor_DMF_sp2_ts_pdpme32_c_transnoulliu_calcallBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) SDD-3853.28915783; Eh
thumbnail.jpeg3-Oct-2019ircrev_DMF_sp2_ts_pdpme32_c_transnoulliu_calcallBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) SDD-3853.28789532; Eh
thumbnail.jpeg3-Oct-2019ircfor_DMF_sp2_ts_pdpme32_c_transnoulliu_calcall_cBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) SDD-3853.32222098; Eh
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