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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-29-ts-xa-t3 3p-me4tbuxphos-29-ts-xa-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2289.63080253; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-14-ts-t1-t2 3r-adbrettphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.10981252; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-07-ts-c2-c3 3i-xphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.29972787; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-19-t3 3o-tbubrettphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.40942378; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-05-c2 3n-tbuxphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.65809967; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-22-c5 2c-pph3-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.27152925; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-25-ts-t5-t6 2j-ptbu3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.15261711; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-04-ts-c1-c2 3q-adjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83073393; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-10-ts-c3-c4 2h-pcy2tbu-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.68444832; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-36-ts-rxt-yb 3a-iprjohnphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.95046693; Eh |
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