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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /9h-pme3/9h-pme3-03-c1/9h-pme3-03-c1-orcasp 9h-pme3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1299.52173125; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-15-t2/3i-pad3-15-t2-orcasp 3i-pad3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.69160201; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-60-ts-t2-t3ob/3x-tbubrettphos-60-ts-t2-t3ob-opt 3x-tbubrettphos-60-ts-t2-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2692.50936903; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-12-ts-rxt-t1/9c-etjohnphos-12-ts-rxt-t1-opt 9c-etjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.24062833; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-77-ts-t5ob-t6ob-4mps/3x-tbubrettphos-77-ts-t5ob-t6ob-4mps-orcasp 3x-tbubrettphos-77-ts-t5ob-t6ob-4mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2228.62245079; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-11-c4/3h-ptbu3-11-c4-opt 3h-ptbu3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1478.11193349; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-19-t3/3w-tbuxphos-19-t3-opt 3w-tbuxphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.54555207; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee08-ec3-bpinoh/3m-cyjohnphos-6omee08-ec3-bpinoh-orcasp 3m_cyjohnphos_6omee08_ec3_bpinoh | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2534.82363006; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee17-et2-h2o/3m-cyjohnphos-6omee17-et2-h2o-orcasp 3m_cyjohnphos_6omee17_et2_h2o | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2534.78108500; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-15-t2/3c-pipr3-15-t2-orcasp 3c-pipr3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.58484350; Eh |
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