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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-44-ts-t3-p1/3c-pipr3-44-ts-t3-p1-orcasp 3c-pipr3-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2054.32671504; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-13-t1/3s-brettphos-13-t1-orcasp 3s-brettphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.44771797; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-18-t3-boh3/3aa-adbrettphos-18-t3-boh3-opt 3aa-adbrettphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.88164651; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-06-c2-h2o/9e-pcbu3-06-c2-h2o-opt 9e-pcbu3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1726.56523107; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-17-ts-t2-t3/9f-pcpr3-17-ts-t2-t3-opt 9f-pcpr3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.80688250; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-25-ts-t5-t6/3a-pph3-25-ts-t5-t6-opt 3a-pph3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.21876020; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-12-ts-rxt-t1/3aa-adbrettphos-12-ts-rxt-t1-orcasp 3aa-adbrettphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.10819766; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-25-ts-t5-t6/3f-pcy2tbu-25-ts-t5-t6-orcasp 3f-pcy2tbu-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.69796009; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-14-ts-t1-t2/3m-cyjohnphos-14-ts-t1-t2-orcasp 3m-cyjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39746735; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee16-et2/3h-ptbu3-6omee16-et2-orcasp 3h_ptbu3_6omee16_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.17330126; Eh |
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