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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-35-ts-ya-c1/3w-tbuxphos-35-ts-ya-c1-opt 3w-tbuxphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25234860; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-37-yb/3w-tbuxphos-37-yb-opt 3w-tbuxphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.58537905; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-34-ya/3w-tbuxphos-34-ya-opt 3w-tbuxphos-34-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27972795; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-36-ts-rxt-yb/3w-tbuxphos-36-ts-rxt-yb-orcasp 3w-tbuxphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.86340073; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-35-ts-ya-c1/3w-tbuxphos-35-ts-ya-c1-orcasp 3w-tbuxphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59614973; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-37-yb/3w-tbuxphos-37-yb-orcasp 3w-tbuxphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.88770194; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-34-ya/3w-tbuxphos-34-ya-orcasp 3w-tbuxphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.61960884; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-30-ts-t2-xb/3w-tbuxphos-30-ts-t2-xb-opt 3w-tbuxphos-30-ts-t2-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27263435; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-33-ts-rxt-ya/3w-tbuxphos-33-ts-rxt-ya-opt 3w-tbuxphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.26362503; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-32-ts-xb-t3/3w-tbuxphos-32-ts-xb-t3-opt 3w-tbuxphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.52591325; Eh |
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