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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-D2 TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4540.35314106; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D2 I2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4540.36855847; 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 TS6-7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2TZVP DEF2SVP GEN | -4351.46282753; 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_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_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 |
Results 31-40 of 45 (Search time: 0.001 seconds).