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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-20-ts-t3-t4 3h-ruphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2319.90370831; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-48-c-ref 2g-pcy3-48-c-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1323.30046255; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-12-ts-rxt-t1 3o-tbubrettphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.87583805; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-12-ts-rxt-t1 3d-cyjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.72550319; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-03-c1 3k-tbujohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.16075989; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-13-t1 9a-cbujohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.74049760; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-boh3 base-reactants-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -252.025091751; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-04-ts-c1-c2 3b-phjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.27865849; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-04-ts-c1-c2 2f-pcpt3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.07423247; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-24-t5 3j-brettphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.71245764; Eh |
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