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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-43-t3-lig/9d-mejohnphos-43-t3-lig-orcasp 9d-mejohnphos-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2427.22694223; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-42-p1/9d-mejohnphos-42-p1-orcasp 9d-mejohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2350.99705995; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-40-ts-t2-p1/9d-mejohnphos-40-ts-t2-p1-opt 9d-mejohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2605.37305321; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-20-ts-t3-t4/9d-mejohnphos-20-ts-t3-t4-opt 9d-mejohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.02672987; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-39-t2-lig/9d-mejohnphos-39-t2-lig-opt 9d-mejohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2605.39596387; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-19-t3/9d-mejohnphos-19-t3-opt 9d-mejohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.05309543; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-21-t4/9d-mejohnphos-21-t4-opt 9d-mejohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.05616622; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-20-ts-t3-t4/9d-mejohnphos-20-ts-t3-t4-orcasp 9d-mejohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.31802574; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-39-t2-lig/9d-mejohnphos-39-t2-lig-orcasp 9d-mejohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2602.89023181; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-19-t3/9d-mejohnphos-19-t3-orcasp 9d-mejohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.35354608; Eh |
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