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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3o-davephos/3o-davephos-13-t1/3o-davephos-13-t1-opt 3o-davephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.45660827; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-82-ts-t2-t3-4mps/3w-tbuxphos-82-ts-t2-t3-4mps-orcasp 3w-tbuxphos-82-ts-t2-t3-4mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-TZVPP/C | -2384.83385522; Eh | |||
 | 26-Jan-2025 | /base-reactants/base-reactants-naphbpin/base-reactants-naphbpin-orcasp base-reactants-naphbpin-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -794.18333045; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-05-c2/3y-me4tbuxphos-05-c2-orcasp 3y-me4tbuxphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.32717890; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn18-t3-boh3/3m-cyjohnphos-6cn18-t3-boh3-opt 3m_cyjohnphos_6cn18_t3_boh3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2281.15180138; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-20-ts-t3-t4/9c-etjohnphos-20-ts-t3-t4-opt 9c-etjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.48990710; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-41-p1-boh3/3m-cyjohnphos-41-p1-boh3-opt 3m-cyjohnphos-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3385.33334348; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-40-ts-t2-p1/9h-pme3-40-ts-t2-p1-opt 9h-pme3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1761.39441432; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome21-t4/3t-tbujohnphos-6ome21-t4-opt 3t_tbujohnphos_6ome21_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1896.75887180; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-19-t3/3aa-adbrettphos-19-t3-opt 3aa-adbrettphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2827.84770213; Eh |
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