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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_PBE0-D3 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -193.989049948; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -345.178346513; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 TS6-7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2TZVP DEF2SVP GEN | -4347.35611034; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2TZVP DEF2SVP GEN | -4347.36463020; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 TS9-10 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2TZVP DEF2SVP GEN | -4425.84225762; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -192.788730717; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2TZVP DEF2SVP GEN | -4540.17976077; Eh |
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