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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-12-ts-rxt-t1/3m-cyjohnphos-12-ts-rxt-t1-opt 3m-cyjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72550319; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-14-ts-t1-t2/3m-cyjohnphos-14-ts-t1-t2-opt 3m-cyjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72796197; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-16-t2-h2o/3m-cyjohnphos-16-t2-h2o-opt 3m-cyjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.06691071; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-15-t2/3m-cyjohnphos-15-t2-opt 3m-cyjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.75762938; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-13-t1/3m-cyjohnphos-13-t1-opt 3m-cyjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.74707583; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-12-ts-rxt-t1/3m-cyjohnphos-12-ts-rxt-t1-orcasp 3m-cyjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.40203737; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-14-ts-t1-t2/3m-cyjohnphos-14-ts-t1-t2-orcasp 3m-cyjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39746735; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-15-t2/3m-cyjohnphos-15-t2-orcasp 3m-cyjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.43795800; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-13-t1/3m-cyjohnphos-13-t1-orcasp 3m-cyjohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.41678429; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-10-ts-c3-c4/3m-cyjohnphos-10-ts-c3-c4-opt 3m-cyjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1936.98263414; Eh |
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