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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2d-potol3/2d-potol3-08-c3-boh3 2d-potol3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.80649959; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-66-t4ob 3n-tbuxphos-66-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.23874031; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-24-t5 2i-ptbu2cy-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.52123798; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-20-ts-t3-t4 2c-pph3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.15940139; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-43-t3-lig 2c-pph3-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2733.92232614; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-84-lig 2d-potol3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1152.40708881; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-12-ts-rxt-t1 2d-potol3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.49049645; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-00-lpdoh2 9c-etjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2478.10893435; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-03-c1 3m-tbudavephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.54268638; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-01-rxt 3l-tbumephos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.22096192; Eh |
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