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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-11-c4/3p-sphos-11-c4-orcasp 3p-sphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.19572731; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-09-c3/3p-sphos-09-c3-orcasp 3p-sphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.23640932; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-07-ts-c2-c3/3p-sphos-07-ts-c2-c3-opt 3p-sphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73109497; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-04-ts-c1-c2/3p-sphos-04-ts-c1-c2-opt 3p-sphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36727763; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-06-c2-h2o/3p-sphos-06-c2-h2o-opt 3p-sphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73677885; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-03-c1/3p-sphos-03-c1-opt 3p-sphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.37592710; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-05-c2/3p-sphos-05-c2-opt 3p-sphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.43136048; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-04-ts-c1-c2/3p-sphos-04-ts-c1-c2-orcasp 3p-sphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.84348964; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-06-c2-h2o/3p-sphos-06-c2-h2o-orcasp 3p-sphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.17867333; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-03-c1/3p-sphos-03-c1-orcasp 3p-sphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.85094698; Eh |
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