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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-14-ts-t1-t2/3k-phjohnphos-14-ts-t1-t2-opt 3k-phjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.53013726; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee01-ecrxt/3m-cyjohnphos-6omee01-ecrxt-opt 3m_cyjohnphos_6omee01_ecrxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2461.24748254; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-14-ts-t1-t2/3a-pph3-14-ts-t1-t2-opt 3a-pph3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.90677763; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-18-t3-boh3/3w-tbuxphos-18-t3-boh3-opt 3w-tbuxphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.60349032; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-01-rxt/3k-phjohnphos-01-rxt-opt 3k-phjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.54483540; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-03-c1/3n-cymephos-03-c1-opt 3n-cymephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.97434675; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-16-t2-h2o/3p-sphos-16-t2-h2o-orcasp 3p-sphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.13976403; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-14-ts-t1-t2/3aa-adbrettphos-14-ts-t1-t2-opt 3aa-adbrettphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.56637939; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-04-ts-c1-c2/3q-ruphos-04-ts-c1-c2-opt 3q-ruphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.31475627; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-12-ts-rxt-t1/3p-sphos-12-ts-rxt-t1-opt 3p-sphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36982330; Eh |
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