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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-58-c2alt 3d-cyjohnphos-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.46094038; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-04-ts-c1-c2 2g-pcy3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.63005053; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-00-lpdoh2 3e-cymephos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3178.58625463; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-41-p1-boh3 9e-pcbu3-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2457.85221947; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-06-c2-h2o 2g-pcy3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.95805203; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-20-ts-t3-t4 3g-sphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.17980838; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-01-rxt 3c-phdavephos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.84021124; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-19-t3 3l-tbumephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.56167376; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-05-c2 2e-pipr3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.62066884; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-14-ts-t1-t2 3k-tbujohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.01623623; Eh |
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