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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-19-t3 9f-pcpr3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.28988088; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-02-ts-rxt-c1 2f-pcpt3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.98227547; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-13-t1 3o-tbubrettphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.90309624; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-16-t2-h2o 3h-ruphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.65596766; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-41-p1-boh3 9b-cptjohnphos-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3224.98230775; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-41-p1-boh3 9d-mejohnphos-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2602.93832223; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-12-ts-rxt-t1 3h-ruphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.58363399; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-18-t3-boh3 2g-pcy3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.91169647; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-03-c1 2h-pcy2tbu-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.44086452; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-15-t2 3e-cymephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.61491257; Eh |
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