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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-40-ts-t2-p1 3k-tbujohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3076.10669523; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-32-ts-xb-t3 3o-tbubrettphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.15196629; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-36-ts-rxt-yb 3d-cyjohnphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.03487307; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-23-ts-c5-c6 3c-phdavephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.54456254; Eh |
Results 371-374 of 374 (Search time: 0.003 seconds).