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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-pipr3-12-ts-rxt-t1/3c-pipr3-12-ts-rxt-t1-opt 3c-pipr3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17600931; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-14-ts-t1-t2/3c-pipr3-14-ts-t1-t2-opt 3c-pipr3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17200344; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-10-ts-c3-c4/3c-pipr3-10-ts-c3-c4-opt 3c-pipr3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.43161970; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-11-c4/3c-pipr3-11-c4-opt 3c-pipr3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.45533102; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-13-t1/3c-pipr3-13-t1-opt 3c-pipr3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.18891642; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-12-ts-rxt-t1/3c-pipr3-12-ts-rxt-t1-orcasp 3c-pipr3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.56298737; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-10-ts-c3-c4/3c-pipr3-10-ts-c3-c4-orcasp 3c-pipr3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.88617972; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-11-c4/3c-pipr3-11-c4-orcasp 3c-pipr3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1358.90840891; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-13-t1/3c-pipr3-13-t1-orcasp 3c-pipr3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.57445828; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-07-ts-c2-c3/3c-pipr3-07-ts-c2-c3-opt 3c-pipr3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.53177921; Eh |
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