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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-07-ts-c2-c3/3m-cyjohnphos-07-ts-c2-c3-opt 3m-cyjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.09226361; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-03-c1/3m-cyjohnphos-03-c1-opt 3m-cyjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.73739546; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-05-c2/3m-cyjohnphos-05-c2-opt 3m-cyjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.78774234; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-04-ts-c1-c2/3m-cyjohnphos-04-ts-c1-c2-orcasp 3m-cyjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39649966; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-06-c2-h2o/3m-cyjohnphos-06-c2-h2o-orcasp 3m-cyjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.72810565; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-03-c1/3m-cyjohnphos-03-c1-orcasp 3m-cyjohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39771224; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-05-c2/3m-cyjohnphos-05-c2-orcasp 3m-cyjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.46378407; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-02-ts-rxt-c1/3m-cyjohnphos-02-ts-rxt-c1-opt 3m-cyjohnphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72348485; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-00-lpdoh2/3m-cyjohnphos-00-lpdoh2-opt 3m-cyjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3103.78272833; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-01-rxt/3m-cyjohnphos-01-rxt-opt 3m-cyjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.75121364; Eh |
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