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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | 6-311++G(2D,2P) | -1.16615503694; Eh | |||
 | 14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | 6-311++G(2D,2P) | -199.401976505; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | 6-311++G(2D,2P) | -113.224061398; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_PBE_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | 6-311++G(2D,2P) | -534.867301643; Eh |
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- 111 Metathesis
- 111 Olefin metathesis
- 25 Carbene ligands
- 25 Ligand design
- 25 Ruthenium
- 23 Chelates
- 23 Hafnium
- 23 Radiochemistry
- 23 Radiopharmaceuticals
- 23 Titanium
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