Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jun-2023 | /DCM_FES/G_AuIPrpropyne AuIPrpropyne_sp_dcm | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -1411.0605785; Eh | ||||
9-Jun-2023 | /HFIP_FES/HFIP hfip_sp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -789.5039685; Eh | ||||
9-Jun-2023 | /HFIP_FES/propyne propyne_sp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -116.544726; Eh | ||||
9-Jun-2023 | /HFIP_FES/HFIP hfip2_sp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -1579.0209923; Eh | ||||
9-Jun-2023 | /DCM_FES/Cl Cl_sp_dcm | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -460.279817732; Eh | ||||
9-Jun-2023 | /HFIP_FES/C2_AuClIPr_HFIP AuClIPr_2HFIP_sp_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -3333.8458709; Eh | ||||
9-Jun-2023 | /HFIP_FES/D_AuHFIPIPr+Cl AuHFIPIP+Cl_sp_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -2544.2960182; Eh | ||||
9-Jun-2023 | /HFIP_FES/C_AuClIPr_HFIP AuClIPr_HFIP_sp_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -2544.3218745; Eh | ||||
9-Jun-2023 | /HFIP_FES/TS2_hfip TS2_sp_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -2544.2880272; Eh | ||||
9-Jun-2023 | /HFIP_FES/TS1_hfip TS1_sp_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -1871.3303815; Eh |
Results 1-10 of 23 (Search time: 0.001 seconds).