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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-pipr3-01-rxt/3c-pipr3-01-rxt-opt 3c-pipr3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.19042303; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-03-c1/3c-pipr3-03-c1-opt 3c-pipr3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.18690900; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-05-c2/3c-pipr3-05-c2-opt 3c-pipr3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.23063798; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-02-ts-rxt-c1/3c-pipr3-02-ts-rxt-c1-orcasp 3c-pipr3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.55317761; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-04-ts-c1-c2/3c-pipr3-04-ts-c1-c2-orcasp 3c-pipr3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.55728389; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-01-rxt/3c-pipr3-01-rxt-orcasp 3c-pipr3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.58320945; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-03-c1/3c-pipr3-03-c1-orcasp 3c-pipr3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.56369680; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-25-ts-t5-t6/3b-potol3-25-ts-t5-t6-opt 3b-potol3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.92369098; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-00-lpdoh2/3c-pipr3-00-lpdoh2-opt 3c-pipr3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1950.67397660; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-24-t5/3b-potol3-24-t5-opt 3b-potol3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.93223828; Eh |
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