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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /base-reactants/base-reactants-6omenaph/base-reactants-6omenaph-orcasp base_reactants_6omenaph | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -498.91433049; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-15-t2/3m-cyjohnphos-15-t2-orcasp 3m-cyjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.43795800; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-17-ts-t2-t3/3aa-adbrettphos-17-ts-t2-t3-opt 3aa-adbrettphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.86731010; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-17-ts-t2-t3/3h-ptbu3-17-ts-t2-t3-opt 3h-ptbu3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.15889474; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-20-ts-t3-t4/9f-pcpr3-20-ts-t3-t4-opt 9f-pcpr3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.74487690; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-06-c2-h2o/3c-pipr3-06-c2-h2o-opt 3c-pipr3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.53798732; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-11-c4/3q-ruphos-11-c4-opt 3q-ruphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.58780798; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-00-lpdoh2/3y-me4tbuxphos-00-lpdoh2-orcasp 3y-me4tbuxphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3809.97542480; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-14-ts-t1-t2/3n-cymephos-14-ts-t1-t2-orcasp 3n-cymephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57978242; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-53-ts-ref/3h-ptbu3-53-ts-ref-orcasp 3h-ptbu3-53-ts-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1398.55434421; Eh |
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