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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Jun-2024 | /631Gd/PBEPBE B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-31G(D) | -347.581673137; Eh | ||||
14-Jun-2024 | /def2SVP/D3BJ_PBEPBE B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | DEF2SVP | -347.352860063; Eh | ||||
14-Jun-2024 | /def2SVP/PBEPBE TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBEPBE | DEF2SVP | -347.310416640; 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 M20 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2055.6609836; 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 M14 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2178.6738406; 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 M15 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2257.2229466; Eh |
Results 192741-192750 of 192818 (Search time: 0.189 seconds).
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- 292 Olefin metathesis
- 226 Metathesis
- 110 Ruthenium
- 66 Homogeneous catalysis
- 48 Chelates
- 48 Hafnium
- 48 Radiochemistry
- 48 Radiopharmaceuticals
- 48 Titanium
- 48 Zirconium
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