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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-03-c1 2e-pipr3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.56369680; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-13-t1 9c-etjohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.35810948; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-19-t3 2e-pipr3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.92060126; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-27-ts-t2-xa 3o-tbubrettphos-27-ts-t2-xa-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.89476669; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-38-ts-yb-c1 3a-iprjohnphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.00548013; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-16-t2-h2o 3r-adbrettphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.87844284; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-02-ts-rxt-c1 9f-pcpr3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.91894451; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-70-c2dim 3d-cyjohnphos-70-c2dim-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3717.08998670; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-10-ts-c3-c4 3n-tbuxphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.91438499; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-10-ts-c3-c4 2c-pph3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.28164792; Eh |
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