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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_M06-L I10 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4430.05597681; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I9 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4430.04276755; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I8 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4235.83053889; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4351.48133096; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4351.48465391; Eh | ||||
15-Nov-2023 | /Cluster_M06-L ML | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2SVP GEN | -459.950609346; Eh | ||||
15-Nov-2023 | /Cluster_M06-L Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2SVP GEN | -192.986236451; Eh | ||||
15-Nov-2023 | /Cluster_M06-L iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2SVP GEN | -194.183322544; Eh | ||||
15-Nov-2023 | /Cluster_M06-L GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2SVP GEN | -345.516708565; Eh | ||||
15-Nov-2023 | /Cluster_M06-L MeOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2SVP GEN | -115.613288466; Eh |
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