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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-20-ts-t3-t4 9c-etjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.48990710; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-62-t3ob-rh 3o-tbubrettphos-62-t3ob-rh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.08790629; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-02-ts-rxt-c1 9b-cptjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.02207516; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-84-lig 3q-adjohnphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1579.98851379; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-13-t1 2k-pad3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.67313069; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-09-c3 3l-tbumephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.56851736; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-19-t3 3f-davephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.30192721; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-47-oacu-ref 2g-pcy3-47-oacu-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3259.35335654; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-41-p1-boh3 9d-mejohnphos-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2605.45733888; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-01-rxt 3m-tbudavephos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.88543143; Eh |
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