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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-potol3-19-t3/3b-potol3-19-t3-opt 3b-potol3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.89577140; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-20-ts-t3-t4/3b-potol3-20-ts-t3-t4-orcasp 3b-potol3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.81365210; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-22-c5/3b-potol3-22-c5-orcasp 3b-potol3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.80337856; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-21-t4/3b-potol3-21-t4-orcasp 3b-potol3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.85144885; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-19-t3/3b-potol3-19-t3-orcasp 3b-potol3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.85259389; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-17-ts-t2-t3/3b-potol3-17-ts-t2-t3-opt 3b-potol3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.92721814; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-16-t2-h2o/3b-potol3-16-t2-h2o-opt 3b-potol3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.95335572; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-18-t3-boh3/3b-potol3-18-t3-boh3-opt 3b-potol3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.95179120; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-15-t2/3b-potol3-15-t2-opt 3b-potol3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.64560461; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-17-ts-t2-t3/3b-potol3-17-ts-t2-t3-orcasp 3b-potol3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.75584240; Eh |
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