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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 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -192.770467679; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -345.152005678; 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-D2 TS6-7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.54276149; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D2 TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4347.54476023; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D2 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -193.963851351; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D2 MeOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -115.489275231; Eh | |||
 | 15-Nov-2023 | /Cluster_M06-L TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2TZVP DEF2SVP GEN | -4351.47564925; Eh | |||
 | 15-Nov-2023 | /Cluster_M06-L TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2TZVP DEF2SVP GEN | -4544.48692737; Eh | |||
 | 15-Nov-2023 | /Cluster_M06-L I3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2TZVP DEF2SVP GEN | -4544.50600655; Eh |
Results 11-20 of 45 (Search time: 0.001 seconds).