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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-38-ts-yb-c1 3j-brettphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.67996421; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-16-t2-h2o 3l-tbumephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.48130906; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-36-ts-rxt-yb 3i-xphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.25085777; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-05-c2 3d-cyjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.46378407; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-24-t5 3h-ruphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.86423811; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-02-ts-rxt-c1 9a-cbujohnphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.70949356; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-39-t2-lig 2e-pipr3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2232.19290375; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-45-p1-h2o 9h-pme3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1585.70299376; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-15-t2 3e-cymephos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.99315972; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-67-t3ob-2h2o 3o-tbubrettphos-67-t3ob-2h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2304.92862309; Eh |
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