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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.67764544; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M23 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1148.03481912; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M22 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1148.04064312; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M21 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1146.33656201; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M20 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1146.34296477; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M19 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1948.57630266; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M25 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1444.5546296; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M24 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1444.5533879; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1451.77543208; Eh | ||||
6-Oct-2023 | /GeomOpt_PBEPBE_GD3MBJ Ru20_11 | Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2135.4308435; Eh |
Results 301-310 of 353 (Search time: 0.001 seconds).
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Subject
- 226 Metathesis
- 226 Olefin metathesis
- 48 Chelates
- 48 Hafnium
- 48 Radiochemistry
- 48 Radiopharmaceuticals
- 48 Titanium
- 48 Zirconium
- 44 Carbene ligands
- 44 Ligand design
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Method
- 118 RHF