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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 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -192.788730717; Eh | ||||
15-Nov-2023 | /Cluster_M06 TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4349.30438495; Eh | ||||
15-Nov-2023 | /Cluster_M06 I6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4349.31737108; Eh | ||||
15-Nov-2023 | /Cluster_M06 I7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4349.30682868; 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_M06 TS9-10 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4427.80302010; 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_M06 ML | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -459.722904181; 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 MeOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -115.560951605; Eh |
Results 31-40 of 45 (Search time: 0.001 seconds).