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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-32-ts-xb-t3/3w-tbuxphos-32-ts-xb-t3-orcasp 3w-tbuxphos-32-ts-xb-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94987106; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-40-ts-t2-p1/9f-pcpr3-40-ts-t2-p1-opt 9f-pcpr3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2224.81729390; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-10-ts-c3-c4/3m-cyjohnphos-10-ts-c3-c4-opt 3m-cyjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1936.98263414; Eh | |||
 | 8-Nov-2025 | /3m-cyjohnphos/3m-cyjohnphos-20-ts-t3-t4/3m-cyjohnphos-20-ts-t3-t4-opt 3m_cyjohnphos_20_ts_t3_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1936.98052434; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-65-t4ob/3y-me4tbuxphos-65-t4ob-opt 3y-me4tbuxphos-65-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.20718986; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-21-t4/3o-davephos-21-t4-opt 3o-davephos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.72140959; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-12-ts-rxt-t1/3v-tbudavephos-12-ts-rxt-t1-orcasp 3v-tbudavephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.55216036; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-55-tw-ref/3e-pcy3-55-tw-ref-orcasp 3e-pcy3-55-tw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.58652595; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-21-t4/9e-pcbu3-21-t4-orcasp 9e-pcbu3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1472.81817035; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-21-t4/3d-pcpt3-21-t4-orcasp 3d-pcpt3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.44790981; Eh |
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