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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-12-ts-rxt-t1/9d-mejohnphos-12-ts-rxt-t1-opt 9d-mejohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.77681155; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-10-ts-c3-c4/9d-mejohnphos-10-ts-c3-c4-opt 9d-mejohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.03372687; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-14-ts-t1-t2/9d-mejohnphos-14-ts-t1-t2-opt 9d-mejohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.77591689; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-13-t1/9d-mejohnphos-13-t1-opt 9d-mejohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.78974528; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-11-c4/9d-mejohnphos-11-c4-opt 9d-mejohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.06158714; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-12-ts-rxt-t1/9d-mejohnphos-12-ts-rxt-t1-orcasp 9d-mejohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.99551231; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-10-ts-c3-c4/9d-mejohnphos-10-ts-c3-c4-orcasp 9d-mejohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.31763863; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-11-c4/9d-mejohnphos-11-c4-orcasp 9d-mejohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.34473689; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-13-t1/9d-mejohnphos-13-t1-orcasp 9d-mejohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1721.00620403; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-07-ts-c2-c3/9d-mejohnphos-07-ts-c2-c3-opt 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 |
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