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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-08-c3-boh3/3x-tbubrettphos-08-c3-boh3-orcasp 3x-tbubrettphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.35045226; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome21-t4/3m-cyjohnphos-6ome21-t4-orcasp 3m_cyjohnphos_6ome21_t4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2048.99670097; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-34-ya/3j-iprjohnphos-34-ya-orcasp 3j-iprjohnphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.69158964; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-49-t-ref/3h-ptbu3-49-t-ref-opt 3h-ptbu3-49-t-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1092.96575944; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-49-t-ref/3e-pcy3-49-t-ref-opt 3e-pcy3-49-t-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1324.82268214; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-13-t1/3w-tbuxphos-13-t1-opt 3w-tbuxphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27618358; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome17-ts-t2-t3/3h-ptbu3-6ome17-ts-t2-t3-orcasp 3h_ptbu3_6ome17_ts_t2_t3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.54669743; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-25-ts-t5-t6/3k-phjohnphos-25-ts-t5-t6-orcasp 3k-phjohnphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.53761159; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-06-c2-h2o/3m-cyjohnphos-06-c2-h2o-orcasp 3m-cyjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.72810565; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-06-c2-h2o/3e-pcy3-06-c2-h2o-orcasp 3e-pcy3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.95805203; Eh |
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