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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3i-xphos/3i-xphos-21-t4 3i-xphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.35655070; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-52-cs-ref 2g-pcy3-52-cs-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1631.91521641; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-10-ts-c3-c4 9h-pme3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1125.04223455; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-13-t1 3q-adjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.84820356; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-47-oacu-ref 3d-cyjohnphos-47-oacu-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3709.30845798; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-16-t2-h2o 3o-tbubrettphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.32733138; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-07-ts-c2-c3 9d-mejohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1797.31028065; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-06-c2-h2o 2d-potol3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.80895379; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-01-rxt 3p-me4tbuxphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.29752169; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-21-t4 3r-adbrettphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.46623489; Eh |
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