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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/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 | |||
 | 9-Jun-2023 | /HFIP_FES/propyne propyne_opt+freq | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | 6-31+G(D,P) GENECP | -116.501167506; Eh | |||
 | 28-Feb-2024 | Int5(1-A) | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1198.54634109; Eh | |||
 | 28-Feb-2024 | Int7(1-B) | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1200.45354389; Eh | |||
 | 28-Feb-2024 | Int10(1-C) | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1296.73697248; Eh | |||
 | 28-Feb-2024 | Int4 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1198.54861297; Eh | |||
 | 28-Feb-2024 | Int9 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1429.41469209; Eh | |||
 | 28-Feb-2024 | Int8 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1429.41450018; Eh |
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