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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-11-c4 3n-tbuxphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94261609; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-25-ts-t5-t6 3k-tbujohnphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.26555348; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-23-ts-c5-c6 2h-pcy2tbu-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.68923305; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-08-c3-boh3 3h-ruphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.90002130; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-05-c2 9d-mejohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1721.06053624; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-03-c1 9g-pet3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.04891820; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-07-ts-c2-c3 9b-cptjohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.34141389; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-04-ts-c1-c2 2c-pph3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.95274536; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-05-int2 unlig-pdoh2-05-int2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.46481340; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-18-t3-boh3 2c-pph3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.25450188; Eh |
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