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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-01-rxt/9d-mejohnphos-01-rxt-opt 9d-mejohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.79309187; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-03-c1/9d-mejohnphos-03-c1-opt 9d-mejohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.79519004; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-05-c2/9d-mejohnphos-05-c2-opt 9d-mejohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.84108021; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-02-ts-rxt-c1/9d-mejohnphos-02-ts-rxt-c1-orcasp 9d-mejohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.97940280; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-04-ts-c1-c2/9d-mejohnphos-04-ts-c1-c2-orcasp 9d-mejohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.98830526; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-01-rxt/9d-mejohnphos-01-rxt-orcasp 9d-mejohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1721.01649148; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-03-c1/9d-mejohnphos-03-c1-orcasp 9d-mejohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.99807808; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-44-ts-t3-p1/9c-etjohnphos-44-ts-t3-p1-opt 9c-etjohnphos-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2586.56022483; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-45-p1-h2o/9c-etjohnphos-45-p1-h2o-opt 9c-etjohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2586.62164766; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-00-lpdoh2/9d-mejohnphos-00-lpdoh2-opt 9d-mejohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2323.88074292; Eh |
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