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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-20-ts-t3-t4 3j-brettphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.75760047; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-09-c3 3n-tbuxphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.97530452; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-09-c3 2k-pad3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2171.03380402; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-39-t2-lig 9a-cbujohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3068.13693658; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-07-ts-c2-c3 3r-adbrettphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.41196377; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-12-ts-rxt-t1 3f-davephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.93933691; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-43-t3-lig 3k-tbujohnphos-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2897.27114095; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-49-t-ref 3d-cyjohnphos-49-t-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1550.07922916; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-10-ts-c3-c4 9e-pcbu3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1472.78104181; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-03-c1 3r-adbrettphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.09955355; Eh |
Results 1371-1380 of 5215 (Search time: 0.002 seconds).