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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2d-potol3/2d-potol3-03-c1 2d-potol3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.62688052; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-39-t2-lig 9b-cptjohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3224.97257236; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-13-t1 3p-me4tbuxphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.28576116; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-13-t1 3a-iprjohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.69993181; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-65-ts-t3ob-1h2o-t4ob 3n-tbuxphos-65-ts-t3ob-1h2o-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.41378672; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-43-t3-lig 3k-tbujohnphos-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2900.38212235; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-23-ts-c5-c6 2d-potol3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.93346002; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-07-ts-c2-c3 2h-pcy2tbu-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.78362063; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-17-ts-t2-t3 3f-davephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.74738641; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-19-t3 9b-cptjohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.52460241; Eh |
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