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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 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 | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M33 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2158.5952464; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M32 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2080.0528216; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M3 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -502.2093486; Eh | ||||
18-Jun-2024 | /GeomOpt_PBEPBE M2 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -117.7380179; Eh |
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