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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3p-sphos/3p-sphos-20-ts-t3-t4/3p-sphos-20-ts-t3-t4-opt 3p-sphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.61844646; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-01-rxt/3b-potol3-01-rxt-opt 3b-potol3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.63288879; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome21-t4/3t-tbujohnphos-6ome21-t4-orcasp 3t_tbujohnphos_6ome21_t4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1894.61267820; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-14-ts-t1-t2/3r-xphos-14-ts-t1-t2-orcasp 3r-xphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.98966833; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-12-ts-rxt-t1/3b-potol3-12-ts-rxt-t1-opt 3b-potol3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.62045895; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-10-ts-c3-c4/3q-ruphos-10-ts-c3-c4-opt 3q-ruphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.56748105; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-21-t4/9b-cptjohnphos-21-t4-opt 9b-cptjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.53042857; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-01-rxt/3u-tbumephos-01-rxt-opt 3u-tbumephos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.41494976; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn04-ts-c1-c2/3m-cyjohnphos-6cn04-ts-c1-c2-orcasp 3m_cyjohnphos_6cn04_ts_c1_c2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2202.40110960; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-04-ts-c1-c2/3m-cyjohnphos-04-ts-c1-c2-orcasp 3m-cyjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39649966; Eh |
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