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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-09-c3/3w-tbuxphos-09-c3-orcasp 3w-tbuxphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.97530452; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-04-ts-c1-c2/3w-tbuxphos-04-ts-c1-c2-opt 3w-tbuxphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.24910231; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-02-ts-rxt-c1/3w-tbuxphos-02-ts-rxt-c1-opt 3w-tbuxphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25193963; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-03-c1/3w-tbuxphos-03-c1-opt 3w-tbuxphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25400487; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-05-c2/3w-tbuxphos-05-c2-opt 3w-tbuxphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.30964886; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-04-ts-c1-c2/3w-tbuxphos-04-ts-c1-c2-orcasp 3w-tbuxphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.58939371; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-02-ts-rxt-c1/3w-tbuxphos-02-ts-rxt-c1-orcasp 3w-tbuxphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59430687; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-03-c1/3w-tbuxphos-03-c1-orcasp 3w-tbuxphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59947963; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-05-c2/3w-tbuxphos-05-c2-orcasp 3w-tbuxphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.65809967; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-01-rxt/3w-tbuxphos-01-rxt-orcasp 3w-tbuxphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.62998304; Eh |
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