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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-pipr3-39-t2-lig/3c-pipr3-39-t2-lig-orcasp 3c-pipr3-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2230.02505928; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-24-t5/3c-pipr3-24-t5-orcasp 3c-pipr3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.82850794; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-23-ts-c5-c6/3c-pipr3-23-ts-c5-c6-opt 3c-pipr3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48772204; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-20-ts-t3-t4/3c-pipr3-20-ts-t3-t4-opt 3c-pipr3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.42578252; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-22-c5/3c-pipr3-22-c5-opt 3c-pipr3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.52928653; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-21-t4/3c-pipr3-21-t4-opt 3c-pipr3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.45870686; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-19-t3/3c-pipr3-19-t3-opt 3c-pipr3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.44579720; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-20-ts-t3-t4/3c-pipr3-20-ts-t3-t4-orcasp 3c-pipr3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.88690493; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-22-c5/3c-pipr3-22-c5-orcasp 3c-pipr3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.87073720; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-21-t4/3c-pipr3-21-t4-orcasp 3c-pipr3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.92832663; Eh |
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