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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3b-potol3/3b-potol3-14-ts-t1-t2/3b-potol3-14-ts-t1-t2-orcasp 3b-potol3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.48391234; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-16-t2-h2o/3b-potol3-16-t2-h2o-orcasp 3b-potol3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.77761728; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-18-t3-boh3/3b-potol3-18-t3-boh3-orcasp 3b-potol3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.77384470; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-15-t2/3b-potol3-15-t2-orcasp 3b-potol3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.51540927; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-14-ts-t1-t2/3b-potol3-14-ts-t1-t2-opt 3b-potol3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.61346192; 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 | /3b-potol3/3b-potol3-10-ts-c3-c4/3b-potol3-10-ts-c3-c4-opt 3b-potol3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.87387994; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-11-c4/3b-potol3-11-c4-opt 3b-potol3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.89538992; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-13-t1/3b-potol3-13-t1-opt 3b-potol3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.63107520; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-12-ts-rxt-t1/3b-potol3-12-ts-rxt-t1-orcasp 3b-potol3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.49049645; Eh |
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