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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-15-t2 9a-cbujohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.65473647; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-84-lig 3b-phjohnphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1264.17536977; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-64-t3ob-1h2o 3o-tbubrettphos-64-t3ob-1h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2231.07862792; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-47-oacu-ref 3k-tbujohnphos-47-oacu-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3404.23157685; Eh | |||
 | 7-Aug-2024 | /2e-pipr3/2e-pipr3-44-ts-t3-p1 2e-pipr3-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2056.42101574; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-06-c2-h2o 2k-pad3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.72721359; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-12-ts-rxt-t1 3i-xphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.83602764; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-09-c3 9c-etjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.54817770; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-17-ts-t2-t3 9a-cbujohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2029.88782680; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-34-ya 3d-cyjohnphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.40833658; Eh |
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