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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /9f-pcpr3/9f-pcpr3-44-ts-t3-p1 9f-pcpr3-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2049.06766543; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-20-ts-t3-t4 3r-adbrettphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2827.81769903; Eh | |||
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-42-p1 2f-pcpt3-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2443.78685946; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-09-c3 3f-davephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.73983025; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-12-ts-rxt-t1 2j-ptbu3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.05235241; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-51-tl-ref 3d-cyjohnphos-51-tl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2821.38430089; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-17-ts-t2-t3 2d-potol3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.75584240; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-02-ts-rxt-c1 9h-pme3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1299.50478628; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-17-ts-t2-t3 2f-pcpt3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.34467647; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-21-t4 9b-cptjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.39638163; Eh |
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