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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 15-Nov-2023 | /Cluster_PBE-D3 I3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4540.26346486; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3 I4 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.46117363; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D2 GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2SVP GEN | -345.155792539; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3 TS9-10 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4425.91303891; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3 I10 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4425.92957614; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3 I9 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4425.91941331; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3 I7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.45323101; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3 I8 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4231.92396358; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -192.780086972; Eh | |||
![]() | 15-Nov-2023 | /Cluster_PBE-D2 I1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4080.82549846; Eh |
Results 192651-192660 of 192818 (Search time: 0.203 seconds).
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Subject
- 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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