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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2c-pph3/2c-pph3-05-c2 2c-pph3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1873.02324330; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-68-ts-t3ob-2h2o-t4ob 3o-tbubrettphos-68-ts-t3ob-2h2o-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2307.35927605; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-20-ts-t3-t4 3d-cyjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1936.97966375; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-14-ts-t1-t2 3f-davephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43749201; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-11-c4 3b-phjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.80681979; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-acoh base-reactants-acoh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -228.664375886; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-45-p1-h2o 3k-tbujohnphos-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2897.26198304; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-21-t4 2f-pcpt3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.44790981; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-13-t1 3n-tbuxphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.61462852; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-46-ub-ref 2j-ptbu3-46-ub-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2186.01768979; Eh |
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