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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9h-pme3/9h-pme3-21-t4 9h-pme3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.88127461; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-45-p1-h2o 3k-tbujohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2900.40638011; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-23-ts-c5-c6 3b-phjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.83834468; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-60-t3rh 3o-tbubrettphos-60-t3rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.91336129; Eh | |||
 | 7-Aug-2024 | /2c-pph3/2c-pph3-41-p1-boh3 2c-pph3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2909.71750639; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-15-t2 3b-phjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.55913615; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-09-c3 3k-tbujohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1780.39293241; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-09-c3 2c-pph3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.33568007; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-19-t3 9g-pet3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.39849036; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-69-t4ob-1h2o 3o-tbubrettphos-69-t4ob-1h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2307.38218263; Eh |
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