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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-11-c4/3s-brettphos-11-c4-orcasp 3s-brettphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.77324228; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-13-t1/3s-brettphos-13-t1-orcasp 3s-brettphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.44771797; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-06-c2-h2o/3s-brettphos-06-c2-h2o-opt 3s-brettphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.82960505; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-10-ts-c3-c4/3s-brettphos-10-ts-c3-c4-opt 3s-brettphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.71173157; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-07-ts-c2-c3/3s-brettphos-07-ts-c2-c3-opt 3s-brettphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.81973553; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-08-c3-boh3/3s-brettphos-08-c3-boh3-opt 3s-brettphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.82380192; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-09-c3/3s-brettphos-09-c3-opt 3s-brettphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.75974066; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-07-ts-c2-c3/3s-brettphos-07-ts-c2-c3-orcasp 3s-brettphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.74687179; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-06-c2-h2o/3s-brettphos-06-c2-h2o-orcasp 3s-brettphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.75550009; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-08-c3-boh3/3s-brettphos-08-c3-boh3-orcasp 3s-brettphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.74986736; Eh |
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