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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-14-ts-t1-t2 3p-me4tbuxphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.17534756; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-25-ts-t5-t6 3k-tbujohnphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.46625867; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-55-tw-ref 3d-cyjohnphos-55-tw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1628.16087732; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-21-t4 3b-phjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.81347877; Eh | |||
 | 7-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-40-ts-t2-p1 3a-iprjohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2919.22482872; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-02-ts-rxt-c1 3m-tbudavephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.85734863; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-pd2oac4 base-reactants-pd2oac4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1168.24677984; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-37-yb 3i-xphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17105570; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-16-t2-h2o 9b-cptjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2110.57928995; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-29-ts-xa-t3 3n-tbuxphos-29-ts-xa-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.51846466; Eh |
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