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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 I8 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4231.92396358; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3_(diffuse) Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -192.780086972; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -193.960590976; 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-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_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_PBE-D3 TS11-1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2TZVP DEF2SVP GEN | -4080.72206476; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE-D3 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBEPBE | DEF2SVP GEN | -192.770467679; Eh |
Results 11-20 of 23 (Search time: 0.001 seconds).