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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-14-ts-t1-t2 3m-tbudavephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.86532451; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-58-c2alt 3d-cyjohnphos-58-c2alt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.78542265; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-14dioxane base-reactants-14dioxane-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -307.069842281; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-12-ts-rxt-t1 3h-ruphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.32231181; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-18-t3-boh3 3g-sphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.70554023; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-05-c2 3e-cymephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2152.02499879; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-45-p1-h2o 3d-cyjohnphos-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3206.05447124; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-56-oh-ref 3k-tbujohnphos-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1471.43390604; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-13-t1 3n-tbuxphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27618358; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-02-ts-rxt-c1 3b-phjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.27651180; Eh |
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