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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-pph3-12-ts-rxt-t1/3a-pph3-12-ts-rxt-t1-opt 3a-pph3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.91132147; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-10-ts-c3-c4/3a-pph3-10-ts-c3-c4-opt 3a-pph3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.16816928; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-08-c3-boh3/3a-pph3-08-c3-boh3-opt 3a-pph3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.28028449; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-11-c4/3a-pph3-11-c4-opt 3a-pph3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.18862140; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-09-c3/3a-pph3-09-c3-opt 3a-pph3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.21177899; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-10-ts-c3-c4/3a-pph3-10-ts-c3-c4-orcasp 3a-pph3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.28164792; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-08-c3-boh3/3a-pph3-08-c3-boh3-orcasp 3a-pph3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.28575069; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-11-c4/3a-pph3-11-c4-orcasp 3a-pph3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.30488120; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-09-c3/3a-pph3-09-c3-orcasp 3a-pph3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.33568007; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-04-ts-c1-c2/3a-pph3-04-ts-c1-c2-opt 3a-pph3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.91593377; Eh |
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