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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-43-t3-lig 9c-etjohnphos-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2586.56795575; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-20-ts-t3-t4 3f-davephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.68699039; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-15-t2 3p-me4tbuxphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.20589648; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-27-ts-t2-xa 3o-tbubrettphos-27-ts-t2-xa-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.05503539; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-23-ts-c5-c6 3j-brettphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.68297482; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-17-ts-t2-t3 2h-pcy2tbu-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.71292949; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-66-t4ob 3p-me4tbuxphos-66-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2156.91327414; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-53-ts-ref 2j-ptbu3-53-ts-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1400.06822888; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-16-t2-h2o 2e-pipr3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.50636317; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-23-ts-c5-c6 3p-me4tbuxphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.51129634; Eh |
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