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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3a-pph3/3a-pph3-24-t5/3a-pph3-24-t5-orcasp 3a-pph3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.23068582; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-21-t4/3a-pph3-21-t4-orcasp 3a-pph3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.32382042; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-20-ts-t3-t4/3a-pph3-20-ts-t3-t4-opt 3a-pph3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.15940139; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-17-ts-t2-t3/3a-pph3-17-ts-t2-t3-opt 3a-pph3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.22238305; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-18-t3-boh3/3a-pph3-18-t3-boh3-opt 3a-pph3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.25048185; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-21-t4/3a-pph3-21-t4-opt 3a-pph3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.19142326; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-19-t3/3a-pph3-19-t3-opt 3a-pph3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.18407420; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-20-ts-t3-t4/3a-pph3-20-ts-t3-t4-orcasp 3a-pph3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.28548272; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-17-ts-t2-t3/3a-pph3-17-ts-t2-t3-orcasp 3a-pph3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.22849200; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-18-t3-boh3/3a-pph3-18-t3-boh3-orcasp 3a-pph3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.25450188; Eh |
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