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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Nov-2023 | I0 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4274.75947514; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) TS6-7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.55894686; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) I8 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4232.03427470; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) ML | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2SVP GEN | -459.492445565; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 I0 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4274.75947514; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -345.339719666; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -194.076465819; 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 | |||
 | 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 I1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4080.73419608; Eh |
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