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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-potol3-18-t3-boh3 2d-potol3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.77384470; Eh | |||
 | 7-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-44-ts-t3-p1 9d-mejohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2429.63491469; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-04-ts-c1-c2 3h-ruphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.31475627; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-84-lig 9c-etjohnphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -961.018977425; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-oboh2 base-reactants-oboh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -251.418822574; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-57-koh-ref 2j-ptbu3-57-koh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1767.05144947; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-07-ts-c2-c3 2d-potol3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.79816345; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-03-c1 3j-brettphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43039268; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-24-t5 3l-tbumephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.46547818; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-09-c3 3h-ruphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2319.95799210; Eh |
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