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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-06-c2-h2o 3r-adbrettphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.91876375; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-39-t2-lig 9b-cptjohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3228.33729356; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-02-ts-rxt-c1 9b-cptjohnphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.23570106; Eh | |||
 | 7-Aug-2024 | /9h-pme3/9h-pme3-44-ts-t3-p1 9h-pme3-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1585.64462879; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-17-ts-t2-t3 3r-adbrettphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.86731010; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-07-ts-c2-c3 3j-brettphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.81973553; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-14-ts-t1-t2 3a-iprjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.68762934; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-16-t2-h2o 9a-cbujohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2029.91041196; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-01-rxt 9c-etjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.36357088; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-55-tw-ref 3k-tbujohnphos-55-tw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1473.59334860; Eh |
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