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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-18-t3-boh3 3d-cyjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.07354977; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-00-lpdoh2 2e-pipr3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1950.67397660; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-21-t4 3r-adbrettphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2827.83015791; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-21-t4 3k-tbujohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.44186904; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-84-lig 3k-tbujohnphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1117.93645877; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-15-t2 3j-brettphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.47880843; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-19-t3 2d-potol3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.89577140; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-15-t2 2h-pcy2tbu-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.47474888; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-58-c2alt 3k-tbujohnphos-58-c2alt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.21387436; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-06-c2-h2o 2h-pcy2tbu-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.78937566; Eh |
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