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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-07-ts-c2-c3 3d-cyjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.09226361; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-24-t5 3q-adjohnphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.15209186; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-15-t2 3g-sphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.39518343; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-69-t4ob-1h2o 3p-me4tbuxphos-69-t4ob-1h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2233.17218935; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-16-t2-h2o 3b-phjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.58437859; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-04-ts-c1-c2 3n-tbuxphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.58939371; Eh | |||
 | 7-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-43-t3-lig 9a-cbujohnphos-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2895.52892300; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-00-lpdoh2 3d-cyjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3103.78272833; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-17-ts-t2-t3 9g-pet3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1494.79127127; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-01-rxt 2h-pcy2tbu-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.44616900; Eh |
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