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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-00-lpdoh2 2e-pipr3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1948.54750997; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-24-t5 3n-tbuxphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.89055741; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-20-ts-t3-t4 3k-tbujohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.41220158; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-03-c1 3p-me4tbuxphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.16654938; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-00-lpdoh2 9h-pme3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1479.88793802; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-11-c4 3l-tbumephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.66257402; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-16-t2-h2o 3q-adjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.38004576; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-43-t3-lig 9e-pcbu3-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2282.15357308; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-41-p1-boh3 9h-pme3-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1759.97499570; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-37-yb 3j-brettphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.71729265; Eh |
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