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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-41-p1-boh3/3j-iprjohnphos-41-p1-boh3-opt 3j-iprjohnphos-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2919.27981777; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-23-ts-c5-c6/3i-pad3-23-ts-c5-c6-opt 3i-pad3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.66279733; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-04-ts-c1-c2/9b-cptjohnphos-04-ts-c1-c2-orcasp 9b-cptjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.02337337; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-16-t2-h2o/3m-cyjohnphos-16-t2-h2o-orcasp 3m-cyjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.69255767; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-43-t3-lig/9f-pcpr3-43-t3-lig-orcasp 9f-pcpr3-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2047.09302746; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-33-ts-rxt-ya/3r-xphos-33-ts-rxt-ya-orcasp 3r-xphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.99314213; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-09-c3/3j-iprjohnphos-09-c3-orcasp 3j-iprjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.06548894; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-05-c2/3q-ruphos-05-c2-orcasp 3q-ruphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.64630481; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-40-ts-t2-p1/9c-etjohnphos-40-ts-t2-p1-opt 9c-etjohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2762.30757669; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome15-t2/3t-tbujohnphos-6ome15-t2-opt 3t_tbujohnphos_6ome15_t2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2072.50431397; Eh |
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