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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3i-xphos/3i-xphos-03-c1 3i-xphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.98035538; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-boh3 base-reactants-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -251.92661467; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-18-t3-boh3 2c-pph3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.25048185; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-22-c5 3d-cyjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.08696635; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-21-t4 9b-cptjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.53042857; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-09-c3 3e-cymephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.26921614; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-07-ts-c2-c3 9a-cbujohnphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2029.93665278; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-12-ts-rxt-t1 9e-pcbu3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.45798747; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-82-ts-hc4-lpd0 2g-pcy3-82-ts-hc4-lpd0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1940.13208081; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-73-hc1-boh3 2j-ptbu3-73-hc1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2212.43166909; Eh |
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