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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-07-ts-c2-c3/3h-ptbu3-07-ts-c2-c3-orcasp 3h-ptbu3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.36268069; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-39-t2-lig/9d-mejohnphos-39-t2-lig-orcasp 9d-mejohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2602.89023181; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-15-t2/3o-davephos-15-t2-orcasp 3o-davephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.97015666; Eh | |||
 | 26-Jan-2025 | /3o-davephos/3o-davephos-03-c1/3o-davephos-03-c1-orcasp 3o-davephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.93128983; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cn06-c2-h2o/3h-ptbu3-6cn06-c2-h2o-opt 3h_ptbu3_6cn06_c2_h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1822.28764096; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne01-ecrxt/3e-pcy3-6cne01-ecrxt-opt 3e_pcy3_6cne01_ecrxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2211.99642954; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-15-t2/3z-adjohnphos-15-t2-opt 3z-adjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.86489989; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-11-c4/3e-pcy3-11-c4-opt 3e-pcy3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1709.98715239; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-21-t4/3p-sphos-21-t4-opt 3p-sphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.65118903; 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 |
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