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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-14-ts-t1-t2 9c-etjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.33754213; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-07-ts-c2-c3 3c-phdavephos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.13065948; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-04-ts-c1-c2 2d-potol3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.47874409; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-08-c3-boh3 9b-cptjohnphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.34930487; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-09-c3 3r-adbrettphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.48116910; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-25-ts-t5-t6 2c-pph3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.21876020; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-34-ya 3r-adbrettphos-34-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.58967422; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-bpinoh base-reactants-bpinoh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -486.212172355; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-83-lpd0 2g-pcy3-83-lpd0-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1173.42219383; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-16-t2-h2o 3r-adbrettphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.39721746; Eh |
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