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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-potol3-10-ts-c3-c4/3b-potol3-10-ts-c3-c4-orcasp 3b-potol3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.80693479; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-11-c4/3b-potol3-11-c4-orcasp 3b-potol3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.83299248; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-13-t1/3b-potol3-13-t1-orcasp 3b-potol3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.49840942; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-09-c3/3b-potol3-09-c3-orcasp 3b-potol3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.86478560; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-06-c2-h2o/3b-potol3-06-c2-h2o-opt 3b-potol3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.98346537; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-07-ts-c2-c3/3b-potol3-07-ts-c2-c3-opt 3b-potol3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.97962443; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-08-c3-boh3/3b-potol3-08-c3-boh3-opt 3b-potol3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.98794628; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-05-c2/3b-potol3-05-c2-opt 3b-potol3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.68219468; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-09-c3/3b-potol3-09-c3-opt 3b-potol3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.92189498; Eh | |||
 | 26-Jan-2025 | /3b-potol3/3b-potol3-07-ts-c2-c3/3b-potol3-07-ts-c2-c3-orcasp 3b-potol3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.79816345; Eh |
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