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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-14-ts-t1-t2/3q-ruphos-14-ts-t1-t2-opt 3q-ruphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.31826376; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-18-t3-boh3/9h-pme3-18-t3-boh3-opt 9h-pme3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1377.12106436; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-65-t4ob/3w-tbuxphos-65-t4ob-opt 3w-tbuxphos-65-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.29724269; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-20-ts-t3-t4/3s-brettphos-20-ts-t3-t4-orcasp 3s-brettphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.75760047; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-10-ts-c3-c4/3a-pph3-10-ts-c3-c4-orcasp 3a-pph3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.28164792; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-41-p1-boh3/9h-pme3-41-p1-boh3-orcasp 9h-pme3-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1759.97499570; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-02-ts-rxt-c1/3m-cyjohnphos-02-ts-rxt-c1-opt 3m-cyjohnphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72348485; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-14-ts-t1-t2/3h-ptbu3-14-ts-t1-t2-opt 3h-ptbu3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.84649085; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-14-ts-t1-t2/3i-pad3-14-ts-t1-t2-opt 3i-pad3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.35816220; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-95-lpd0boh3/3e-pcy3-95-lpd0boh3-opt 3e-pcy3-95-lpd0boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1425.49142189; Eh |
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