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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M26 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2056.8600623; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M28 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -947.4709303; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M22 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -924.272527; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M30 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2425.3245745; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M31 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2080.1045785; Eh |
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