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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | /9f-pcpr3/9f-pcpr3-43-t3-lig 9f-pcpr3-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2049.07654657; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-01-rxt 3c-phdavephos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.26227301; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-05-c2 3r-adbrettphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.61233618; 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 | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-20-ts-t3-t4 3p-me4tbuxphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2289.60592965; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-10-ts-c3-c4 3i-xphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.30845409; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-11-c4 3d-cyjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.74750285; Eh |
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