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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 I2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4540.26840259; Eh | |||
 | 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-D3 I5 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.47057359; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 I6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.45867907; 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 I9 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4425.91941331; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -193.960590976; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -192.770467679; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 MeOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -115.488524123; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 ML | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -459.469099959; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 TS11-1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4080.72206476; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4540.25283724; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.44736520; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 TS6-7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.44320553; 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_(diffuse) GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2SVP GEN | -193.974219187; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) I1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4080.84020204; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) I2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4540.39124799; Eh |