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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-00-lpdoh2 3q-adjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3717.60837319; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-22-c5 3i-xphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.29220099; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-44-ts-t3-p1 9b-cptjohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3052.56121798; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-62-t3ob-rh 3n-tbuxphos-62-t3ob-rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.29897219; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-11-c4 3r-adbrettphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2827.81705674; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-01-rxt 9h-pme3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.79826215; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-21-t4 3n-tbuxphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.54219971; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-11-c4 2g-pcy3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1709.98715239; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-44-ts-t3-p1 2f-pcpt3-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point; Single point | - | def2-QZVPP; def2-QZVPP/C | -2517.36284982; -2517.36282365; Eh; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-43-t3-lig 3a-iprjohnphos-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2740.60824862; Eh |
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