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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3f-davephos/3f-davephos-01-rxt 3f-davephos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.46061803; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-84-lig 2d-potol3-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1151.38173997; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-13-t1 2e-pipr3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.57445828; Eh | |||
 | 7-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-39-t2-lig 9d-mejohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2605.39596387; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-48-c-ref 3k-tbujohnphos-48-c-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1397.28707222; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-26-t6 3o-tbubrettphos-26-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.20503922; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-31-xb 3o-tbubrettphos-31-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2287.87817997; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-01-rxt 3h-ruphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.33528215; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-06-c2-h2o 3p-me4tbuxphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.58440526; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-25-ts-t5-t6 3h-ruphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.83162432; Eh |
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