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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Oct-2022/template-3/mono_HFIP int1_BFONON_HFIPFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN-3283.78806615; Eh
thumbnail.jpeg5-Oct-2022/template-3/no_MCP_strain ts1_noMCPFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2498.94336907; Eh
thumbnail.jpeg5-Oct-2022/template-3/no_CN ts1_noCN_FFONOAFernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Single point StructureRMN15GEN-3057.99329800; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c5 ts1_FBONIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2859.85406954; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c5 ts1_BBONIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2859.85090079; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c4 ts1c4_FFONIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRMN15GEN DEF2TZVPP-2863.0350852; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c6 ts1c6_FBONIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN DEF2TZVPP-2863.0363154; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c7 ts1c7_BFONIN_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN DEF2TZVPP-2863.0224868; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c5 ts1_FBIAIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN DEF2TZVPP-2863.0376342; Eh
thumbnail.jpeg5-Oct-2022/template-2/ts1_t2/c5 ts1_FFOAIA_t2Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRMN15GEN-2859.85906410; Eh
Results 81-90 of 470 (Search time: 0.001 seconds).