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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-17-ts-t2-t3/3f-pcy2tbu-17-ts-t2-t3-opt 3f-pcy2tbu-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.73521843; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-20-ts-t3-t4/3f-pcy2tbu-20-ts-t3-t4-opt 3f-pcy2tbu-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.67729862; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-16-t2-h2o/3f-pcy2tbu-16-t2-h2o-opt 3f-pcy2tbu-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.75778558; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-18-t3-boh3/3f-pcy2tbu-18-t3-boh3-opt 3f-pcy2tbu-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.76013413; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-19-t3/3f-pcy2tbu-19-t3-opt 3f-pcy2tbu-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.69776948; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-16-t2-h2o/3f-pcy2tbu-16-t2-h2o-orcasp 3f-pcy2tbu-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.72994396; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-17-ts-t2-t3/3f-pcy2tbu-17-ts-t2-t3-orcasp 3f-pcy2tbu-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.71292949; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-18-t3-boh3/3f-pcy2tbu-18-t3-boh3-orcasp 3f-pcy2tbu-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.73246387; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-19-t3/3f-pcy2tbu-19-t3-orcasp 3f-pcy2tbu-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.80599055; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-12-ts-rxt-t1/3f-pcy2tbu-12-ts-rxt-t1-opt 3f-pcy2tbu-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.42935244; Eh |
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