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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3p-sphos/3p-sphos-20-ts-t3-t4/3p-sphos-20-ts-t3-t4-orcasp 3p-sphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.17980838; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-16-t2-h2o/3p-sphos-16-t2-h2o-orcasp 3p-sphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.13976403; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-18-t3-boh3/3p-sphos-18-t3-boh3-orcasp 3p-sphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.14860784; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-19-t3/3p-sphos-19-t3-orcasp 3p-sphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.21835239; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-12-ts-rxt-t1/3p-sphos-12-ts-rxt-t1-opt 3p-sphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36982330; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-16-t2-h2o/3p-sphos-16-t2-h2o-opt 3p-sphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.70820517; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-14-ts-t1-t2/3p-sphos-14-ts-t1-t2-opt 3p-sphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36915901; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-15-t2/3p-sphos-15-t2-opt 3p-sphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.39518343; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-13-t1/3p-sphos-13-t1-opt 3p-sphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.38836724; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-12-ts-rxt-t1/3p-sphos-12-ts-rxt-t1-orcasp 3p-sphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.85879925; Eh |
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