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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3g-sphos/3g-sphos-07-ts-c2-c3 3g-sphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73109497; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-24-t5 3n-tbuxphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.59091769; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-02-ts-rxt-c1 3o-tbubrettphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.03189479; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-01-rxt 2h-pcy2tbu-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.46719577; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-09-c3 2h-pcy2tbu-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.82027121; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-17-ts-t2-t3 3p-me4tbuxphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.46227490; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-04-ts-c1-c2 3a-iprjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70827485; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-07-ts-c2-c3 3l-tbumephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73849682; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-11-c4 3o-tbubrettphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.13456953; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-03-int1 unlig-pdoh2-03-int1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.05057609; Eh |
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