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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /base-reactants/base-reactants-binaph base-reactants-binaph-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -769.110452344; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-11-c4 2k-pad3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.62745481; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-39-t2-lig 3d-cyjohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3385.29492987; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-16-t2-h2o 2d-potol3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.95335572; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-25-ts-t5-t6 3j-brettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76532671; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-18-t3-boh3 9f-pcpr3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.83308112; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-19-t3 3e-cymephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.24221734; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-33-ts-rxt-ya 3a-iprjohnphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70598298; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-04-ts-c1-c2 3m-tbudavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.85963170; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-20-ts-t3-t4 3b-phjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.78288652; Eh |
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