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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3g-sphos/3g-sphos-22-c5 3g-sphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.16689453; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-12-ts-rxt-t1 3f-davephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43722330; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-14-ts-t1-t2 3e-cymephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96625297; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-05-c2 9g-pet3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.53662900; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-14-ts-t1-t2 3p-me4tbuxphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.27227195; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-04-ts-c1-c2 3e-cymephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57230845; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-10-ts-c3-c4 9f-pcpr3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.25213368; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-02-ts-rxt-c1 3h-ruphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.57079637; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-15-t2 3c-phdavephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.85450465; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-23-ts-c5-c6 3o-tbubrettphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.17848094; Eh |
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