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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-52-cs-ref/3m-cyjohnphos-52-cs-ref-opt 3m-cyjohnphos-52-cs-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.93442974; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-17-ts-t2-t3/3w-tbuxphos-17-ts-t2-t3-opt 3w-tbuxphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.56973378; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-04-ts-c1-c2/3a-pph3-04-ts-c1-c2-opt 3a-pph3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.91593377; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-15-t2/9d-mejohnphos-15-t2-opt 9d-mejohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.80250105; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-02-ts-rxt-c1/3b-potol3-02-ts-rxt-c1-orcasp 3b-potol3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.47659207; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-18-t3-boh3/9c-etjohnphos-18-t3-boh3-orcasp 9c-etjohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1875.64155631; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee05-ec2/3m-cyjohnphos-6omee05-ec2-orcasp 3m_cyjohnphos_6omee05_ec2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2458.56723990; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-18-t3-boh3/9e-pcbu3-18-t3-boh3-opt 9e-pcbu3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1726.53708747; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-42-p1/9b-cptjohnphos-42-p1-opt 9b-cptjohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2976.29648544; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-01-rxt/3h-ptbu3-01-rxt-opt 3h-ptbu3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.86624494; Eh |
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