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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-12-ts-rxt-t1 3a-iprjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.68873531; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-06-c2-h2o 3a-iprjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1954.01043206; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-01-rxt 3h-ruphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.60174275; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-09-c3 9h-pme3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.89219029; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-25-ts-t5-t6 3a-iprjohnphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.01363888; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-01-rxt 3j-brettphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.48698226; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-13-t1 3c-phdavephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.25817532; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-21-t4 2k-pad3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.64117088; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-06-c2-h2o 3b-phjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.60822030; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-18-t3-boh3 3h-ruphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.88210270; Eh |
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