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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-12-ts-rxt-t1 3r-adbrettphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.10819766; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-45-p1-h2o 9f-pcpr3-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2047.11384148; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-20-ts-t3-t4 2d-potol3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.81365210; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-31-xb 3o-tbubrettphos-31-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2285.15455646; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-59-ts-t2-t3rh 3n-tbuxphos-59-ts-t2-t3rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25836836; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-oh2dioxane base-reactants-oh2dioxane-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -689.839118035; Eh | |||
 | 7-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-24-t5 3m-tbudavephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.18968285; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-17-ts-t2-t3 3o-tbubrettphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.29909028; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-55-tw-ref 3d-cyjohnphos-55-tw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1626.35205462; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-17-ts-t2-t3 2k-pad3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.93055034; Eh |
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