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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-01-rxt 3b-phjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.30508283; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-18-t3-boh3 2k-pad3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.94860998; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-22-c5 3c-phdavephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.12998522; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-12-ts-rxt-t1 2d-potol3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.62045895; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-16-t2-h2o 2h-pcy2tbu-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.75778558; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-04-ts-c1-c2 2c-pph3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.91593377; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-25-ts-t5-t6 3h-ruphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.62704711; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-10-ts-c3-c4 3g-sphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.61954192; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-61-ts-t3rh-t3ob 3p-me4tbuxphos-61-ts-t3rh-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.30777542; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-40-ts-t2-p1 2c-pph3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2906.80691142; Eh |
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