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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-17-ts-t2-t3/3s-brettphos-17-ts-t2-t3-opt 3s-brettphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.77407742; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-01-rxt/3x-tbubrettphos-01-rxt-opt 3x-tbubrettphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.90596022; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-19-t3/3y-me4tbuxphos-19-t3-opt 3y-me4tbuxphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2292.45564929; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-05-c2/3m-cyjohnphos-05-c2-opt 3m-cyjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.78774234; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-22-c5/3b-potol3-22-c5-opt 3b-potol3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.97637341; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-45-p1-h2o/3d-pcpt3-45-p1-h2o-orcasp 3d-pcpt3-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2517.40876193; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-10-ts-c3-c4/9h-pme3-10-ts-c3-c4-orcasp 9h-pme3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.84011494; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-98-lpd0/3h-ptbu3-98-lpd0-orcasp 3h-ptbu3-98-lpd0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -940.43160493; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome07-ts-c2-c3/3e-pcy3-6ome07-ts-c2-c3-opt 3e_pcy3_6ome07_ts_c2_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2076.37778458; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-06-c2-h2o/3q-ruphos-06-c2-h2o-opt 3q-ruphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.68812989; Eh |
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