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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-potol3-15-t2 2d-potol3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.51540927; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-42-p1 2f-pcpt3-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2441.15448852; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-02-ts-rxt-c1 3f-davephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43094667; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-06-c2-h2o 2g-pcy3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.07083911; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-00-lpdoh2 3e-cymephos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3182.25981698; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-03-c1 3l-tbumephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.39571974; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-15-t2 9f-pcpr3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.52193319; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-12-ts-rxt-t1 3d-cyjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.40203737; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-18-t3-boh3 3b-phjohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.58390981; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-19-t3 9d-mejohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.35354608; Eh |
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