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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Oct-2023 | /SP_PBEPBE_GD3MBJ_C6H6 Ru20_9 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2450.07431848; Eh | |||
 | 6-Oct-2023 | /SP_PBEPBE_GD3MBJ_C6H6 Ru9_9 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2371.51887841; Eh | |||
 | 6-Oct-2023 | /SP_PBEPBE_GD3MBJ_C6H6 11 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -924.612070000; Eh | |||
 | 6-Oct-2023 | /SP_PBEPBE_GD3MBJ_C6H6 9 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1238.81575958; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M27 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2135.4152234; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M23 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2402.1379006; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M24 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2402.122489; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M21 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2134.2238497; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M29 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2425.3638103; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M25 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2056.9008824; Eh |
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