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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-43-t3-lig 2f-pcpt3-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2517.39532119; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-15-t2 3o-tbubrettphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.07433157; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-21-t4 3l-tbumephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.56363233; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-03-c1 2j-ptbu3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.04991088; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-07-ts-c2-c3 3r-adbrettphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.90811136; Eh | |||
 | 7-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-22-c5 3b-phjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.88777532; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-19-t3 3k-tbujohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.43908108; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-10-ts-c3-c4 3k-tbujohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1780.33494526; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-00-lpdoh2 3o-tbubrettphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3953.50226925; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-84-lig 3r-adbrettphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2161.02262938; Eh |
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