Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Nov-2023 | /Cluster_M06 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2SVP GEN | -192.878750345; 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 MeOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -115.560951605; Eh | ||||
15-Nov-2023 | /Cluster_M06 TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4542.20404309; Eh | ||||
15-Nov-2023 | /Cluster_M06 I3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4542.22829129; Eh | ||||
15-Nov-2023 | /Cluster_M06 I2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4542.23520912; 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 I4 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4349.31504890; 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 I5 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4349.32952917; Eh |
Results 11-20 of 20 (Search time: 0.001 seconds).
Discover
Calculation type