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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2c-pph3/2c-pph3-00-lpdoh2 2c-pph3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2625.34459019; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-65-ts-t3ob-1h2o-t4ob 3p-me4tbuxphos-65-ts-t3ob-1h2o-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2159.32176345; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-07-ts-c2-c3 3c-phdavephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.58944290; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-00-lpdoh2 3a-iprjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2637.73479658; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-10-ts-c3-c4 9e-pcbu3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1474.45916799; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-05-c2 3p-me4tbuxphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.22277743; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-65-ts-t3ob-1h2o-t4ob 3o-tbubrettphos-65-ts-t3ob-1h2o-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2228.62245079; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-00-lpdoh2 9e-pcbu3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2176.33805208; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-obpin base-reactants-obpin-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -485.24424886; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-15-t2 2e-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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