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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-21-t4/3f-pcy2tbu-21-t4-orcasp 3f-pcy2tbu-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.81266343; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-45-p1-h2o/9c-etjohnphos-45-p1-h2o-opt 9c-etjohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2586.62164766; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-18-t3-boh3/3k-phjohnphos-18-t3-boh3-opt 3k-phjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.86839751; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-00-lpdoh2/3s-brettphos-00-lpdoh2-opt 3s-brettphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -4267.25396337; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-19-t3/9d-mejohnphos-19-t3-opt 9d-mejohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.05309543; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-05-c2/3u-tbumephos-05-c2-opt 3u-tbumephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.44915670; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-19-t3/9f-pcpr3-19-t3-opt 9f-pcpr3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.76936966; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-04-ts-c1-c2/3s-brettphos-04-ts-c1-c2-orcasp 3s-brettphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.41788400; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-16-t2-h2o/3n-cymephos-16-t2-h2o-orcasp 3n-cymephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.86648293; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-19-t3/9f-pcpr3-19-t3-orcasp 9f-pcpr3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.28988088; Eh |
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