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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn10-ts-c3-c4/3e-pcy3-6cn10-ts-c3-c4-orcasp 3e_pcy3_6cn10_ts_c3_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.96384285; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn14-ts-t1-t2/3e-pcy3-6cn14-ts-t1-t2-orcasp 3e_pcy3_6cn14_ts_t1_t2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1975.63868187; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-07-ts-c2-c3/3c-pipr3-07-ts-c2-c3-orcasp 3c-pipr3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.87660196; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-02-ts-rxt-c1/3a-pph3-02-ts-rxt-c1-opt 3a-pph3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.90678838; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-06-c2-h2o/9g-pet3-06-c2-h2o-opt 9g-pet3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1494.84547804; Eh | |||
 | 26-Jan-2025 | /9a-cbujohnphos/9a-cbujohnphos-19-t3/9a-cbujohnphos-19-t3-opt 9a-cbujohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1780.00105510; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-21-t4/3l-phdavephos-21-t4-opt 3l-phdavephos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2063.52519424; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-22-c5/3f-pcy2tbu-22-c5-opt 3f-pcy2tbu-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.77999450; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-13-t1/3l-phdavephos-13-t1-opt 3l-phdavephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.25817532; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee15-ts-et1-et2/3m-cyjohnphos-6omee15-ts-et1-et2-orcasp 3m_cyjohnphos_6omee15_ts_et1_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2458.49672922; Eh |
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