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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-39-t2-lig 9f-pcpr3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2224.81858277; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-09-c3 3j-brettphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.75974066; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-13-t1 3h-ruphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.33342479; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-72-ts-c2-naphboh2-hc1 2g-pcy3-72-ts-c2-naphboh2-hc1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2446.64451257; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-12-ts-rxt-t1 3j-brettphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46543964; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-08-c3-boh3 2i-ptbu2cy-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.50509849; Eh | |||
 | 7-Aug-2024 | /9e-pcbu3/9e-pcbu3-40-ts-t2-p1 9e-pcbu3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2460.22363275; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-16-t2-h2o 3d-cyjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.06691071; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-46-ub-ref 2g-pcy3-46-ub-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2649.74485588; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-05-c2 3d-cyjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.78774234; Eh |
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