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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3f-davephos/3f-davephos-18-t3-boh3 3f-davephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.24029014; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-01-rxt 9f-pcpr3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.94967571; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-60-t3rh 3n-tbuxphos-60-t3rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.29222288; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-13-t1 9e-pcbu3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.21597330; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-40-ts-t2-p1 3d-cyjohnphos-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3381.67288260; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-16-t2-h2o 3p-me4tbuxphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.56567395; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-20-ts-t3-t4 3n-tbuxphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.93354528; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-26-t6 3p-me4tbuxphos-26-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.56214551; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-03-c1 3k-tbujohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.00983777; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-oboh2 base-reactants-oboh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -251.37446703; Eh |
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