Browsing by Author Ekeli, Jonas B.
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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 M1 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -78.4716325; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M10 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1046.1146958; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M11 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2523.9563502; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M12 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2523.9368592; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M13 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2178.711566; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M14 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2178.6738406; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M15 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2257.2229466; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M16 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -923.0814057; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M17 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2400.9442027; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M18 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2400.9285127; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M19 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2055.7062871; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M2 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -117.7380179; Eh | |||
 | 18-Jun-2024 | /GeomOpt_PBEPBE M20 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2055.6609836; 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 M22 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -924.272527; 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 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 M27 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2135.4152234; Eh |