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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-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 | /3e-pcy3/3e-pcy3-89-hc1/3e-pcy3-89-hc1-opt 3e-pcy3-89-hc1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2194.60137945; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-21-t4/3q-ruphos-21-t4-opt 3q-ruphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.59899277; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-06-c2-h2o/9b-cptjohnphos-06-c2-h2o-orcasp 9b-cptjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.35697321; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-15-t2/9f-pcpr3-15-t2-orcasp 9f-pcpr3-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.95893233; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-02-ts-rxt-c1/9f-pcpr3-02-ts-rxt-c1-opt 9f-pcpr3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.48603619; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-43-t3-lig/9d-mejohnphos-43-t3-lig-opt 9d-mejohnphos-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2429.64673268; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-56-oh-ref/3m-cyjohnphos-56-oh-ref-opt 3m-cyjohnphos-56-oh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1627.59558729; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-09-c3/3x-tbubrettphos-09-c3-opt 3x-tbubrettphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.17499819; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-20-ts-t3-t4/3v-tbudavephos-20-ts-t3-t4-orcasp 3v-tbudavephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.87894414; Eh |
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