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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 I5 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4351.50094900; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I4 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4351.48489688; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2TZVP DEF2SVP GEN | -4544.50600655; 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 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2SVP GEN | -192.986236451; 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 | ||||
15-Nov-2023 | /Cluster_M06-L TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2TZVP DEF2SVP GEN | -4544.48692737; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4544.51282722; Eh | ||||
15-Nov-2023 | /Cluster_M06-L I1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP DEF2SVP GEN | -4084.49658370; Eh |
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