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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-21-t4/3u-tbumephos-21-t4-orcasp 3u-tbumephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.56363233; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-19-t3/3u-tbumephos-19-t3-orcasp 3u-tbumephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.56167376; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-17-ts-t2-t3/3u-tbumephos-17-ts-t2-t3-opt 3u-tbumephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.70535665; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-16-t2-h2o/3u-tbumephos-16-t2-h2o-opt 3u-tbumephos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73323241; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-18-t3-boh3/3u-tbumephos-18-t3-boh3-opt 3u-tbumephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73806866; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-15-t2/3u-tbumephos-15-t2-opt 3u-tbumephos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.42308833; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-19-t3/3u-tbumephos-19-t3-opt 3u-tbumephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.67418962; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-17-ts-t2-t3/3u-tbumephos-17-ts-t2-t3-orcasp 3u-tbumephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.46888125; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-16-t2-h2o/3u-tbumephos-16-t2-h2o-orcasp 3u-tbumephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.48130906; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-18-t3-boh3/3u-tbumephos-18-t3-boh3-orcasp 3u-tbumephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.50093241; Eh |
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