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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-26-t6 3p-me4tbuxphos-26-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.50786494; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-58-c2alt 3d-cyjohnphos-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.46094038; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-04-ts-c1-c2 2g-pcy3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.63005053; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-00-lpdoh2 3e-cymephos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3178.58625463; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-16-t2-h2o 3e-cymephos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.29895739; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-22-c5 3o-tbubrettphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.21949108; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-14-ts-t1-t2 3g-sphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36915901; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-41-p1-boh3 9e-pcbu3-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2457.85221947; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-06-c2-h2o 2g-pcy3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.95805203; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-20-ts-t3-t4 3g-sphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.17980838; Eh |
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