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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-24-t5 2g-pcy3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.03037424; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-35-ts-ya-c1 3d-cyjohnphos-35-ts-ya-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.38325791; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-01-rxt 3q-adjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.11514706; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-09-c3 9f-pcpr3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.30464589; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-67-t3ob-2h2o 3p-me4tbuxphos-67-t3ob-2h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2235.66805512; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-16-t2-h2o 3q-adjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.17169669; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-07-ts-c2-c3 9d-mejohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1799.14088095; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-18-t3-boh3 2g-pcy3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.04225786; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-16-t2-h2o 3m-tbudavephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.83177567; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-14-ts-t1-t2 9d-mejohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.99095684; Eh |
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