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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jun-2023 | /HFIP_FES/F_AuIPrpropyne+ClHFIP AuIPrpropyne+ClHFIP_opt+freq_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) SDD GENECP | -2660.01808111; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/G_AuIPrpropyne AuIPrpropyne_opt+freq_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) SDD GENECP | -1410.58563131; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/Cl Cl_opt+freq_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) GENECP | -460.226252858; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/E_AuClIPrHFIP+propyne AuClIPrHFIP+propyne_opt+freq_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) SDD GENECP | -2660.02643976; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/C2_AuClIPr_HFIP AuClIPr_2HFIP_opt+freq_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) SDD GENECP | -3332.69270309; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/D_AuHFIPIPr+Cl AuHFIPIP+Cl_opt+freq_hfip | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) SDD GENECP | -2543.48674823; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/HFIP hfip3_opt+freq | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) GENECP | -2367.51409698; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/HFIP hfip2_opt+freq | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) GENECP | -1578.33778431; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/HFIP hfip_opt+freq | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) GENECP | -789.162131178; Eh | |||
 | 9-Jun-2023 | /DCM_FES/G_AuIPrpropyne AuIPrpropyne_opt+freq_dcm | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) SDD GENECP | -1410.60971652; Eh |
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