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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-64-t3ob-1h2o 3o-tbubrettphos-64-t3ob-1h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2228.67846663; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-36-ts-rxt-yb 3d-cyjohnphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.66645109; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-10-ts-c3-c4 2e-pipr3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.88617972; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-39-t2-lig 9f-pcpr3-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2222.75042285; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-06-c2-h2o 9h-pme3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.84107184; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-42-p1 9b-cptjohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2973.04929619; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-69-t4ob-1h2o 3n-tbuxphos-69-t4ob-1h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2078.76197414; Eh | |||
 | 7-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-44-ts-t3-p1 9a-cbujohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2895.51306630; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-08-c3-boh3 3k-tbujohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.52040337; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-04-ts-c1-c2 3f-davephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43805958; Eh |
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